ComplexModeler started
Update Job Status Response: {"status":"success"}
6a96524ef369a31a81cc5d09fd0d08fa existed
nx : 298
ny : 298
nz : 298
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 298
my : 298
mz : 298
cella : (298., 298., 298.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.054503824561834335
dmax : 0.13173983991146088
dmean : 0.0007281798170879483
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.005743905436247587
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:44 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 298
ny : 298
nz : 298
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 298
my : 298
mz : 298
cella : (298., 298., 298.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.054503824561834335
dmax : 0.13173983991146088
dmean : 0.0007281798170879483
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.005743905436247587
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 03:58:00 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
input_cryoread_unified.mrc is a valid MRC2014 file...
File appears to be valid.
GPU reform failed, falling back to CPU
Previous shape (ZYX): torch.Size([1, 1, 298, 298, 298])
Previous voxel size (ZXY): [1. 1. 1.]
New grid size (ZYX): [298 298 298]
1st_stage_detection existed
chain_predictprob.npy
2nd_stage_detection existed
chain_predictprob.npy
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 0.13173983991146088
dmean : 0.00038110194145701826
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.004149232991039753
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 03:58:26 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
graph_atomic_modeling created
Origin: [0.0, 0.0, 0.0]
detected mode mapc 1, mapr 2, maps 3
read chain info from fasta: defaultdict(<class 'list'>, {'G': [2, 3, 3, 3, 1, 1, 1, 1, 1, 3, 1, 2, 1, 3, 3, 2, 1, 1, 2, 0, 2, 0, 2, 1, 1, 3, 0, 1, 1, 1, 3, 2, 0, 1, 2, 0, 2, 1, 3, 1, 3, 1, 0, 0, 3, 0, 2, 0, 3, 3, 2, 2, 0, 3, 0, 1, 2, 2, 0, 3, 3], 'I': [2, 2, 1, 3, 3, 0, 1, 2, 1, 3, 3, 2, 2, 1, 3, 1, 2, 1, 1, 0, 2, 0, 2, 0, 3, 1, 3, 0, 1, 0, 2, 0, 3, 2, 2, 2, 1, 1, 0, 0, 2, 0, 0, 0, 0, 0, 2, 2, 2, 3], 'F': [2, 3, 3, 3, 1, 1, 1, 1, 1, 3, 1, 1, 0, 0, 3, 3, 3, 2, 1, 3, 1, 0, 1, 2, 0, 2, 1, 3, 1, 3, 1, 0, 0, 3, 0, 2, 0, 3, 3, 2, 2, 0, 3, 0, 1, 2, 2, 0, 3, 3], 'J': [2, 2, 1, 3, 3, 0, 1, 2, 1, 3, 3, 2, 2, 1, 3, 1, 2, 1, 1, 0, 2, 0, 2, 0, 3, 1, 3, 0, 1, 3, 2, 0, 0, 0, 1, 2, 0, 0, 3, 1, 3, 1, 3, 0, 0, 3, 2, 2, 0, 3, 0, 2, 0, 0, 0, 0, 0, 2, 2, 2, 3]})
we have 4 chains in provided fasta files
input_cryoread_segment.mrc
The recording mode in the mrc file:2
XYZ dim:297,297,297
section in unit cell:0,0,0
sampling along X,Y,Z axis of unit cell:297,297,297
cell dimensions in angstroms:297.000000,297.000000,297.000000
Cell angles in degree:90,90,90
axis mode:(1,2,3)
density statistics:min(-0.054504),max(0.131740),mean(0.000729)
space group number:1
extended data:0
origin state:(0.000000,0.000000,0.000000)
density data shape:
(297, 297, 297)
min density:0.000000
max density:0.131740
number of voxels: 26198073
width of x,y,z:(1.000000,1.000000,1.000000)
order mode:1
useful points: 58098
in total chain useful percentage 0.002218
after normalizing pho dens min 0.0000 max 1.0000
useful points: 75856
in total chain useful percentage 0.002895
dens shape now
(297, 297, 297)
after normalizing sugar dens min 0.0000 max 1.0000
pho_LDP created
carry on mean shifting jobs
useful points 58098
set up filters
fmaxd=6.000000
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
58098
finishing meanshifting with 58098 points
here we get the density range 9.436018
0
10000
20000
30000
40000
50000
merging finishing with 445 left
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 1.0099999904632568
dmean : 7.75514854467474e-06
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.002276715822517872
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 03:59:36 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
in total 147 isolated grid points
sugar_LDP created
carry on mean shifting jobs
useful points 75856
set up filters
fmaxd=6.000000
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
75856
finishing meanshifting with 75856 points
here we get the density range 9.683921
0
10000
20000
30000
40000
50000
60000
70000
merging finishing with 480 left
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 1.0099999904632568
dmean : 1.0195112736255396e-05
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.0026557829696685076
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 04:01:06 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
in total 111 isolated grid points
sugar_graph created
0
10000
20000
30000
40000
50000
60000
70000
number of possible connected edges by differen ori data:1358
skip edges with distance 11.591086
skip edges with distance 11.811247
skip edges with distance 12.287493
skip edges with distance 12.652860
skip edges with distance 11.193967
skip edges with distance 11.176811
skip edges with distance 10.513579
skip edges with distance 12.015848
skip edges with distance 10.787242
skip edges with distance 14.282896
skip edges with distance 15.655032
skip edges with distance 12.117120
skip edges with distance 10.985322
skip edges with distance 10.529307
skip edges with distance 10.271777
skip edges with distance 12.512421
skip edges with distance 10.159120
skip edges with distance 11.045377
skip edges with distance 12.552596
skip edges with distance 10.868156
skip edges with distance 10.124222
skip edges with distance 10.246899
skip edges with distance 10.811864
skip edges with distance 14.310702
skip edges with distance 13.987198
skip edges with distance 14.182378
skip edges with distance 10.050671
skip edges with distance 10.027696
skip edges with distance 11.471708
skip edges with distance 10.073297
skip edges with distance 14.662566
skip edges with distance 13.976094
skip edges with distance 11.278471
skip edges with distance 10.729871
skip edges with distance 17.688412
skip edges with distance 16.922746
skip edges with distance 13.953222
skip edges with distance 14.463047
skip edges with distance 11.902719
skip edges with distance 11.386604
skip edges with distance 11.342144
skip edges with distance 10.601427
skip edges with distance 12.660857
skip edges with distance 11.247953
skip edges with distance 15.003694
skip edges with distance 13.107944
skip edges with distance 10.465477
skip edges with distance 10.308135
skip edges with distance 10.917829
skip edges with distance 12.626324
skip edges with distance 10.649825
skip edges with distance 11.487945
skip edges with distance 10.729712
skip edges with distance 11.733130
skip edges with distance 18.005630
skip edges with distance 10.151036
skip edges with distance 14.370767
skip edges with distance 16.920209
skip edges with distance 10.551259
skip edges with distance 12.015543
skip edges with distance 17.337148
skip edges with distance 11.434154
skip edges with distance 10.417306
skip edges with distance 11.483795
skip edges with distance 16.313113
skip edges with distance 10.721378
skip edges with distance 12.875776
skip edges with distance 12.212201
skip edges with distance 13.517023
skip edges with distance 10.738554
skip edges with distance 14.371642
skip edges with distance 16.098602
skip edges with distance 14.711862
skip edges with distance 15.621006
skip edges with distance 19.101502
skip edges with distance 16.079742
skip edges with distance 11.889221
skip edges with distance 10.779767
skip edges with distance 10.805994
skip edges with distance 16.887660
skip edges with distance 10.115406
skip edges with distance 10.090027
skip edges with distance 12.323727
skip edges with distance 12.798020
skip edges with distance 10.229910
skip edges with distance 10.506858
skip edges with distance 12.472546
skip edges with distance 15.456546
skip edges with distance 12.469766
skip edges with distance 10.651772
skip edges with distance 13.465127
skip edges with distance 10.937694
skip edges with distance 11.801367
skip edges with distance 14.031874
skip edges with distance 10.635604
skip edges with distance 10.137979
skip edges with distance 12.071546
skip edges with distance 11.649442
skip edges with distance 11.117895
skip edges with distance 11.107444
skip edges with distance 13.387701
skip edges with distance 11.074485
skip edges with distance 12.653200
skip edges with distance 10.685444
skip edges with distance 10.059847
skip edges with distance 11.417170
skip edges with distance 16.128968
skip edges with distance 13.465618
skip edges with distance 11.137318
skip edges with distance 14.071889
skip edges with distance 11.965884
skip edges with distance 10.503283
skip edges with distance 13.481278
skip edges with distance 10.188962
skip edges with distance 11.246027
skip edges with distance 11.507923
skip edges with distance 10.837738
skip edges with distance 12.310291
skip edges with distance 14.245938
skip edges with distance 10.484920
skip edges with distance 14.502750
skip edges with distance 11.535848
skip edges with distance 12.385345
skip edges with distance 10.358377
skip edges with distance 11.447112
skip edges with distance 13.386175
skip edges with distance 12.315288
skip edges with distance 12.858023
skip edges with distance 13.076274
skip edges with distance 10.903884
skip edges with distance 10.653806
skip edges with distance 10.009025
skip edges with distance 10.251134
skip edges with distance 11.757217
skip edges with distance 11.963937
skip edges with distance 12.907736
skip edges with distance 13.012497
skip edges with distance 13.682732
skip edges with distance 12.724084
skip edges with distance 12.836446
skip edges with distance 10.588285
skip edges with distance 10.281525
skip edges with distance 15.858770
skip edges with distance 12.443611
skip edges with distance 14.892128
skip edges with distance 12.576827
skip edges with distance 12.675194
skip edges with distance 12.428483
skip edges with distance 11.821035
skip edges with distance 10.144901
skip edges with distance 15.830630
skip edges with distance 13.492542
skip edges with distance 13.811617
skip edges with distance 16.346106
skip edges with distance 10.855403
skip edges with distance 13.342993
skip edges with distance 10.272128
skip edges with distance 11.178019
skip edges with distance 13.090045
skip edges with distance 10.600835
skip edges with distance 12.359988
skip edges with distance 13.256310
skip edges with distance 11.812008
skip edges with distance 13.735098
skip edges with distance 11.651265
skip edges with distance 13.833780
skip edges with distance 12.248900
skip edges with distance 12.018703
skip edges with distance 10.622372
skip edges with distance 11.582679
skip edges with distance 11.111476
skip edges with distance 18.939629
skip edges with distance 17.420151
skip edges with distance 11.512258
skip edges with distance 10.810620
skip edges with distance 12.076803
skip edges with distance 11.491770
skip edges with distance 15.658438
skip edges with distance 10.371935
skip edges with distance 11.397036
skip edges with distance 10.799724
skip edges with distance 13.469364
skip edges with distance 11.158868
skip edges with distance 10.520354
skip edges with distance 14.578062
skip edges with distance 15.042862
skip edges with distance 14.995020
skip edges with distance 13.516941
skip edges with distance 10.425166
skip edges with distance 14.437418
skip edges with distance 14.986257
skip edges with distance 11.317156
skip edges with distance 10.268303
skip edges with distance 10.090662
skip edges with distance 10.016368
skip edges with distance 12.178245
skip edges with distance 14.271529
skip edges with distance 10.274061
skip edges with distance 14.996674
skip edges with distance 14.933557
skip edges with distance 12.314603
skip edges with distance 13.221897
skip edges with distance 10.146146
skip edges with distance 10.118846
skip edges with distance 10.114780
skip edges with distance 11.719276
skip edges with distance 12.240496
skip edges with distance 10.270422
skip edges with distance 11.898146
skip edges with distance 13.141123
skip edges with distance 10.985089
skip edges with distance 11.773283
skip edges with distance 10.864338
skip edges with distance 10.488517
skip edges with distance 11.482213
skip edges with distance 10.907548
skip edges with distance 13.051767
skip edges with distance 11.025792
skip edges with distance 10.083518
skip edges with distance 13.355561
skip edges with distance 12.196698
skip edges with distance 16.114294
skip edges with distance 14.232081
skip edges with distance 13.228569
skip edges with distance 10.841347
skip edges with distance 14.038761
skip edges with distance 11.223199
skip edges with distance 10.176127
skip edges with distance 12.653434
skip edges with distance 14.268418
skip edges with distance 11.201146
skip edges with distance 10.897856
skip edges with distance 12.960835
skip edges with distance 12.508207
skip edges with distance 12.098843
skip edges with distance 11.010299
skip edges with distance 10.359287
skip edges with distance 10.106758
skip edges with distance 11.235311
skip edges with distance 10.626310
skip edges with distance 10.139201
skip edges with distance 12.802565
skip edges with distance 12.318216
skip edges with distance 10.797265
sorting edge for MST preparataion 1083
filtered edge numbers 1358
1358 edges are remained after prob map checking
filtered edge numbers 1101
Further adding 662 edges based on extending and checking base region
filtered edge numbers 1763
0
1000
edge density min 1.00 max 396.39 mean 34.39
sugar_search created
sub_graph0 created
filtered edge numbers 1763
number of edges in the data: 2977
distance mean 4053.837420
updated distance mean 92060.794378
number vehicles: 24 adj matrix shape: 481
drop penalty 81277
start routing
add capacity
add penalty
add params
Objective: 4192385
Route for vehicle 0:
0 -> 80 -> 97 -> 105 -> 114 -> 121 -> 147 -> 130 -> 113 -> 104 -> 129 -> 142 -> 134 -> 148 -> 157 -> 177 -> 159 -> 168 -> 132 -> 154 -> 138 -> 172 -> 152 -> 175 -> 169 -> 173 -> 156 -> 153 -> 140 -> 176 -> 182 -> 201 -> 206 -> 211 -> 212 -> 219 -> 235 -> 234 -> 239 -> 242 -> 246 -> 244 -> 245 -> 249 -> 253 -> 256 -> 262 -> 269 -> 273 -> 280 -> 279 -> 270 -> 285 -> 283 -> 295 -> 304 -> 311 -> 316 -> 323 -> 322 -> 335 -> 332 -> 341 -> 340 -> 345 -> 336 -> 339 -> 355 -> 358 -> 359 -> 363 -> 364 -> 377 -> 395 -> 389 -> 400 -> 418 -> 415 -> 417 -> 398 -> 409 -> 427 -> 443 -> 448 -> 458 -> 454 -> 442 -> 453 -> 447 -> 465 -> 478 -> 470 -> 471 -> 472 -> 467 -> 466 -> 457 -> 464 -> 455 -> 432 -> 440 -> 449 -> 435 -> 444 -> 441 -> 421 -> 410 -> 403 -> 399 -> 394 -> 379 -> 388 -> 392 -> 391 -> 387 -> 378 -> 373 -> 376 -> 380 -> 381 -> 360 -> 346 -> 347 -> 337 -> 334 -> 328 -> 327 -> 321 -> 318 -> 315 -> 310 -> 305 -> 303 -> 293 -> 288 -> 294 -> 284 -> 292 -> 300 -> 281 -> 274 -> 268 -> 263 -> 258 -> 251 -> 252 -> 248 -> 240 -> 236 -> 233 -> 224 -> 225 -> 216 -> 217 -> 191 -> 218 -> 213 -> 209 -> 202 -> 193 -> 196 -> 192 -> 188 -> 200 -> 198 -> 195 -> 190 -> 181 -> 165 -> 166 -> 167 -> 0
Distance of the route: 1430826m

Route for vehicle 1:
0 -> 297 -> 0
Distance of the route: 0m

Route for vehicle 2:
0 -> 480 -> 0
Distance of the route: 0m

Route for vehicle 3:
0 -> 158 -> 170 -> 161 -> 179 -> 180 -> 187 -> 160 -> 184 -> 183 -> 194 -> 189 -> 178 -> 185 -> 203 -> 207 -> 210 -> 215 -> 223 -> 0
Distance of the route: 310903m

Route for vehicle 4:
0 -> 214 -> 0
Distance of the route: 0m

Route for vehicle 5:
0 -> 7 -> 6 -> 4 -> 5 -> 3 -> 0
Distance of the route: 88128m

Route for vehicle 6:
0 -> 164 -> 163 -> 146 -> 155 -> 139 -> 127 -> 0
Distance of the route: 13862m

Route for vehicle 7:
0 -> 50 -> 0
Distance of the route: 0m

Route for vehicle 8:
0 -> 369 -> 0
Distance of the route: 0m

Route for vehicle 9:
0 -> 342 -> 0
Distance of the route: 0m

Route for vehicle 10:
0 -> 407 -> 396 -> 0
Distance of the route: 4623m

Route for vehicle 11:
0 -> 351 -> 0
Distance of the route: 0m

Route for vehicle 12:
0 -> 412 -> 413 -> 414 -> 406 -> 419 -> 423 -> 428 -> 446 -> 459 -> 437 -> 460 -> 473 -> 475 -> 474 -> 479 -> 477 -> 476 -> 462 -> 461 -> 463 -> 468 -> 452 -> 451 -> 469 -> 456 -> 450 -> 430 -> 433 -> 429 -> 439 -> 438 -> 436 -> 422 -> 445 -> 426 -> 416 -> 0
Distance of the route: 279439m

Route for vehicle 13:
0 -> 208 -> 222 -> 221 -> 227 -> 231 -> 238 -> 243 -> 250 -> 255 -> 264 -> 266 -> 260 -> 261 -> 259 -> 267 -> 276 -> 277 -> 271 -> 282 -> 272 -> 287 -> 286 -> 289 -> 296 -> 299 -> 312 -> 324 -> 329 -> 330 -> 331 -> 348 -> 350 -> 352 -> 353 -> 354 -> 338 -> 356 -> 344 -> 357 -> 362 -> 368 -> 366 -> 375 -> 384 -> 401 -> 390 -> 383 -> 386 -> 385 -> 372 -> 367 -> 371 -> 365 -> 374 -> 370 -> 0
Distance of the route: 619804m

Route for vehicle 14:
0 -> 397 -> 408 -> 402 -> 0
Distance of the route: 3941m

Route for vehicle 15:
0 -> 8 -> 0
Distance of the route: 0m

Route for vehicle 16:
0 -> 98 -> 99 -> 71 -> 52 -> 70 -> 90 -> 81 -> 53 -> 82 -> 91 -> 92 -> 94 -> 101 -> 106 -> 102 -> 117 -> 118 -> 133 -> 111 -> 120 -> 112 -> 103 -> 88 -> 59 -> 38 -> 57 -> 56 -> 67 -> 77 -> 83 -> 66 -> 75 -> 37 -> 45 -> 44 -> 14 -> 25 -> 18 -> 24 -> 17 -> 13 -> 12 -> 11 -> 9 -> 23 -> 16 -> 22 -> 29 -> 33 -> 30 -> 54 -> 36 -> 55 -> 76 -> 93 -> 68 -> 84 -> 69 -> 58 -> 46 -> 35 -> 34 -> 15 -> 19 -> 26 -> 31 -> 47 -> 61 -> 49 -> 78 -> 79 -> 62 -> 42 -> 20 -> 39 -> 48 -> 60 -> 40 -> 27 -> 21 -> 10 -> 28 -> 41 -> 85 -> 96 -> 109 -> 87 -> 95 -> 124 -> 119 -> 108 -> 126 -> 128 -> 107 -> 110 -> 123 -> 125 -> 116 -> 100 -> 86 -> 65 -> 64 -> 74 -> 73 -> 72 -> 32 -> 63 -> 43 -> 51 -> 89 -> 115 -> 122 -> 137 -> 150 -> 151 -> 145 -> 149 -> 144 -> 143 -> 136 -> 131 -> 135 -> 141 -> 174 -> 186 -> 197 -> 199 -> 205 -> 220 -> 228 -> 230 -> 226 -> 229 -> 232 -> 237 -> 241 -> 247 -> 254 -> 257 -> 265 -> 278 -> 275 -> 291 -> 301 -> 290 -> 302 -> 307 -> 298 -> 308 -> 306 -> 314 -> 309 -> 320 -> 313 -> 317 -> 319 -> 325 -> 326 -> 333 -> 343 -> 349 -> 361 -> 0
Distance of the route: 1345872m

Route for vehicle 17:
0 -> 434 -> 0
Distance of the route: 0m

Route for vehicle 18:
0 -> 171 -> 162 -> 0
Distance of the route: 1944m

Route for vehicle 19:
0 -> 424 -> 431 -> 0
Distance of the route: 1893m

Route for vehicle 20:
0 -> 382 -> 0
Distance of the route: 0m

Route for vehicle 21:
0 -> 204 -> 0
Distance of the route: 0m

Route for vehicle 22:
0 -> 2 -> 1 -> 0
Distance of the route: 40047m

Route for vehicle 23:
0 -> 425 -> 420 -> 405 -> 404 -> 393 -> 411 -> 0
Distance of the route: 51103m

Maximum of the route distances: 1430826m
Prune created
Extract search dict 170, GT search dict 480
search length 170, return search result length 170
filtered edge numbers 515
170 node path find 1 sub path
Extract search dict 36, GT search dict 480
search length 36, return search result length 36
filtered edge numbers 144
36 node path find 1 sub path
Extract search dict 55, GT search dict 480
search length 55, return search result length 55
filtered edge numbers 89
55 node path find 1 sub path
Extract search dict 3, GT search dict 480
search length 3, return search result length 3
filtered edge numbers 3
3 node path find 1 sub path
Extract search dict 162, GT search dict 480
search length 162, return search result length 162
filtered edge numbers 685
162 node path find 1 sub path
Extract search dict 6, GT search dict 480
search length 6, return search result length 6
filtered edge numbers 5
6 node path find 1 sub path
Extract search dict 18, GT search dict 480
search length 18, return search result length 18
filtered edge numbers 22
18 node path find 1 sub path
Extract search dict 5, GT search dict 480
search length 5, return search result length 5
filtered edge numbers 3
5 node path find 1 sub path
Extract search dict 6, GT search dict 480
search length 6, return search result length 6
filtered edge numbers 9
6 node path find 1 sub path
in total we collected 9 path candidates
base_LDP created
useful points: 15394
in total chain useful percentage 0.000588
after normalizing pho dens min 0.0000 max 1.0000
carry on mean shifting jobs
useful points 15394
set up filters
fmaxd=6.000000
15394
15394
15394
15394
15394
15394
15394
15394
15394
15394
15394
15394
15394
15394
15394
15394
finishing meanshifting with 15394 points
here we get the density range 10.149458
0
10000
merging finishing with 163 left
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 1.0099999904632568
dmean : 3.605839538067812e-06
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.001668756827712059
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 04:36:18 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
in total 86 isolated grid points
useful points: 8982
in total chain useful percentage 0.000343
after normalizing pho dens min 0.0000 max 1.0000
carry on mean shifting jobs
useful points 8982
set up filters
fmaxd=6.000000
8982
8982
8982
8982
8982
8982
8982
8982
8982
finishing meanshifting with 8982 points
here we get the density range 10.120257
0
merging finishing with 111 left
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 1.0099999904632568
dmean : 2.104017312376527e-06
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.0012424264568835497
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 04:36:30 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
in total 305 isolated grid points
useful points: 9185
in total chain useful percentage 0.000351
after normalizing pho dens min 0.0000 max 0.9999
carry on mean shifting jobs
useful points 9185
set up filters
fmaxd=6.000000
9185
9185
9185
9185
9185
9185
9185
9185
9185
9185
finishing meanshifting with 9185 points
here we get the density range 10.032627
0
merging finishing with 108 left
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 1.0099999904632568
dmean : 1.9344131487741834e-06
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.0011624337639659643
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 04:36:43 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
in total 177 isolated grid points
useful points: 17889
in total chain useful percentage 0.000683
after normalizing pho dens min 0.0000 max 1.0000
carry on mean shifting jobs
useful points 17889
set up filters
fmaxd=6.000000
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
17889
finishing meanshifting with 17889 points
here we get the density range 10.174389
0
10000
merging finishing with 166 left
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 1.0099999904632568
dmean : 3.4525999126344686e-06
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.0016437410376966
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 04:37:04 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
in total 96 isolated grid points
base_LDP existed
useful points: 46335
in total chain useful percentage 0.001769
after normalizing pho dens min 0.0000 max 1.0000
carry on mean shifting jobs
useful points 46335
set up filters
fmaxd=6.000000
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
46335
finishing meanshifting with 46335 points
here we get the density range 9.977234
0
10000
20000
30000
40000
merging finishing with 423 left
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 1.0099999904632568
dmean : 1.1850260307255667e-05
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.0032072553876787424
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 04:37:47 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
in total 45 isolated grid points
461 base assignment outside safe range: 0.056
base_assignsugar_combine created
Output_Structure_noseq created
234 base assignment outside safe range: 0.060
234 base assignment outside safe range: 0.060
only apply geometry constraints for dynamic programming
DP_geo_match created
path_0 created
path_order created
path_reverse_order created
path_1 created
path_order created
path_reverse_order created
path_2 created
path_order created
path_reverse_order created
path_3 created
path_order created
path_reverse_order created
path_4 created
path_order created
path_reverse_order created
path_5 created
path_order created
path_reverse_order created
path_6 created
path_order created
path_reverse_order created
path_7 created
path_order created
path_reverse_order created
path_8 created
path_order created
path_reverse_order created
geometrical based dp finished selecting ldp for atomic modeling
AssembleFactory_geo created
atomic_geo created
Path_Atomic_Frags created
99 pho positions in atomic
99 pho positions in atomic
{3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 97, 98, 99, 100}
previous loc [175.75847953018453, 129.09452661085376, 98.05419042098855] updated loc: [175.75847953018453, 129.09452661085376, 98.05419042098855]
previous loc [184.09101404679177, 147.6414918964568, 93.43364361982016] updated loc: [184.64480001556726, 141.84472946945925, 95.84061814346215]
previous loc [168.10224859085235, 159.76711628280518, 99.12460697037515] updated loc: [169.92595277563393, 158.66524289098092, 96.50669882270869]
previous loc [169.47842206282147, 151.0619854626604, 109.42087497376387] updated loc: [166.6546724484967, 154.531426562029, 104.46079011605944]
previous loc [170.72474671883663, 150.3630047004667, 111.9274199712669] updated loc: [169.47842206282147, 151.0619854626604, 109.42087497376387]
previous loc [176.41765360577503, 153.81703898558771, 120.72844350050156] updated loc: [172.98087586140917, 150.63511694422786, 115.08817638518133]
previous loc [169.9869663961493, 166.58552896934006, 130.60549180497344] updated loc: [174.11018167250458, 163.5977575002837, 126.39403429746513]
previous loc [161.49632630534347, 167.02833500571438, 132.2881477847565] updated loc: [169.9869663961493, 166.58552896934006, 130.60549180497344]
previous loc [156.1204395172899, 162.81400041811617, 134.1903103930507] updated loc: [161.49632630534347, 167.02833500571438, 132.2881477847565]
previous loc [154.67657976362926, 157.03096277792312, 137.3560254208185] updated loc: [156.1204395172899, 162.81400041811617, 134.1903103930507]
previous loc [156.43831610538325, 151.48698551680857, 139.71908213378114] updated loc: [154.67657976362926, 157.03096277792312, 137.3560254208185]
previous loc [159.75218332247462, 146.2903746448779, 141.48962765789156] updated loc: [156.43831610538325, 151.48698551680857, 139.71908213378114]
previous loc [165.2896219858795, 144.72396178542627, 142.53776268801585] updated loc: [159.75218332247462, 146.2903746448779, 141.48962765789156]
previous loc [171.9803510536038, 144.31994851140345, 145.93227554322064] updated loc: [165.2896219858795, 144.72396178542627, 142.53776268801585]
previous loc [175.40787733747905, 148.33413824278114, 151.51885249589384] updated loc: [171.9803510536038, 144.31994851140345, 145.93227554322064]
previous loc [175.71170593291018, 151.34434819275884, 157.03476954780467] updated loc: [175.40787733747905, 148.33413824278114, 151.51885249589384]
previous loc [172.6312918786411, 153.28284089103252, 161.90962966859544] updated loc: [174.35400031218063, 152.28142506051174, 158.88441397335038]
previous loc [160.9642199194779, 143.06078606426118, 172.33197017760537] updated loc: [165.32313633718917, 150.59018615444705, 169.89396738857445]
previous loc [161.57143007429528, 136.27323168307103, 172.43539396909415] updated loc: [160.9642199194779, 143.06078606426118, 172.33197017760537]
previous loc [166.03291621735625, 131.04608136197336, 172.48916752949427] updated loc: [161.06045857133643, 138.41296675492418, 172.87408476436184]
previous loc [176.78691261292906, 127.6131761731799, 174.9804950983228] updated loc: [170.27978155659582, 127.82266288921942, 173.7021359572375]
previous loc [184.43476293539462, 133.70672918096366, 182.42962510459574] updated loc: [179.09394235843789, 128.26875858724358, 175.97750909664364]
previous loc [184.70018626964642, 136.8394540951774, 187.85157412580597] updated loc: [184.43476293539462, 133.70672918096366, 182.42962510459574]
previous loc [178.30439017025185, 131.97614531513162, 196.32314942768798] updated loc: [178.30439017025185, 131.97614531513162, 196.32314942768798]
previous loc [178.30439017025185, 131.97614531513162, 196.32314942768798] updated loc: [178.30439017025185, 131.97614531513162, 196.32314942768798]
previous loc [185.15773720829057, 131.71399835907377, 200.97004451464625] updated loc: [180.96985227378295, 131.99213267212969, 194.00131275424482]
previous loc [189.28026494302736, 128.96003114291088, 204.89289403506194] updated loc: [185.15773720829057, 131.71399835907377, 200.97004451464625]
previous loc [187.1468233489087, 131.3918190808378, 208.99587345533382] updated loc: [189.28026494302736, 128.96003114291088, 204.89289403506194]
previous loc [180.96985227378295, 131.99213267212969, 194.00131275424482] updated loc: [185.0180200937358, 133.99594346967385, 193.98620600679956]
previous loc [169.98793941099197, 125.60404576080985, 187.18341639024203] updated loc: [175.9708627734859, 123.00073742812968, 188.88713631122303]
previous loc [176.83600353679768, 145.86207097244196, 175.38941901959987] updated loc: [174.95585511129642, 146.26643314123228, 178.0511418214426]
previous loc [178.55495363708067, 138.92353373499796, 164.43427361796742] updated loc: [179.42322813230115, 141.1034714325944, 167.24921398952586]
previous loc [173.74396093931546, 136.27927952035733, 159.95724962498733] updated loc: [178.55495363708067, 138.92353373499796, 164.43427361796742]
previous loc [162.4873317862495, 139.48703309343364, 156.48828369459738] updated loc: [168.40174347689984, 136.2856622171825, 155.22472706721524]
previous loc [158.33695692346004, 147.9916309446927, 156.0207314798997] updated loc: [162.4873317862495, 139.48703309343364, 156.48828369459738]
previous loc [159.57940794472572, 158.19342077394958, 154.53752260110804] updated loc: [157.8318850676336, 150.26987412232546, 155.57910949594532]
previous loc [157.8318850676336, 150.26987412232546, 155.57910949594532] updated loc: [159.57940794472572, 158.19342077394958, 154.53752260110804]
previous loc [171.8285731036161, 162.37677553800253, 141.69647768500812] updated loc: [168.21256548002629, 164.96767521138932, 146.325653439375]
previous loc [174.24746609709962, 157.3334743863232, 137.8866972501242] updated loc: [171.8285731036161, 162.37677553800253, 141.69647768500812]
previous loc [173.31303380623152, 151.84950904146064, 133.64262666347966] updated loc: [174.24746609709962, 157.3334743863232, 137.8866972501242]
previous loc [169.00090452645202, 147.98722369221062, 130.001960986719] updated loc: [173.31303380623152, 151.84950904146064, 133.64262666347966]
previous loc [158.54434722579558, 156.79592090322717, 117.96408951548985] updated loc: [159.68309794762004, 151.17274523845253, 120.69961067735458]
previous loc [156.2565636254801, 160.6705696277894, 106.07834797602003] updated loc: [158.54434722579558, 156.79592090322717, 117.96408951548985]
previous loc [175.38117538872498, 168.07295881634647, 109.43817161028737] updated loc: [166.47047686667753, 167.74461997845248, 113.7532802412557]
previous loc [182.69510929599096, 156.78569857025454, 108.04732943993318] updated loc: [181.22439124474656, 162.90658842250346, 109.27460823742209]
previous loc [182.33955782608894, 153.20971579218119, 107.57127819333397] updated loc: [182.69510929599096, 156.78569857025454, 108.04732943993318]
previous loc [173.1915181888451, 145.26298060165493, 101.83676968817964] updated loc: [181.79071296926963, 150.43563640504325, 107.038162247372]
99 pho positions in atomic
round 2 we still put 2 points into clear set
clearning changed 150 to 148 frag info
Reflection detected
Reflection detected
use pho situation 6
use pho situation 2
use pho situation 5
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 2
use pho situation 7
use pho situation 6
use pho situation 1
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 1
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
Reflection detected
use pho situation 6
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 1
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
use pho situation 2
use pho situation 5
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
use pho situation 1
use pho situation 2
use pho situation 5
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
99 atomic build upon pho atoms
22 pho positions in atomic
22 pho positions in atomic
{4, 5, 6, 7, 8, 9, 10, 11, 13, 14, 15, 16, 17, 19, 20, 21, 22}
previous loc [123.08716629172902, 177.02193377072152, 203.95946158977281] updated loc: [122.46415134077897, 177.902691604207, 202.09389236995028]
previous loc [123.08716629172902, 177.02193377072152, 203.95946158977281] updated loc: [123.08716629172902, 177.02193377072152, 203.95946158977281]
previous loc [126.71461850733316, 175.24873532587304, 209.1694725412494] updated loc: [126.71461850733316, 175.24873532587304, 209.1694725412494]
previous loc [130.87234335148062, 181.9052283866775, 218.35470959023317] updated loc: [130.87234335148062, 181.9052283866775, 218.35470959023317]
previous loc [130.87234335148062, 181.9052283866775, 218.35470959023317] updated loc: [130.87234335148062, 181.9052283866775, 218.35470959023317]
previous loc [135.52583146890564, 190.94711315671623, 214.05216253853237] updated loc: [135.52583146890564, 190.94711315671623, 214.05216253853237]
previous loc [139.23808128543251, 176.08060174823436, 202.05943023551808] updated loc: [139.23808128543251, 176.08060174823436, 202.05943023551808]
22 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 34 to 33 frag info
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 4
Reflection detected
22 atomic build upon pho atoms
32 pho positions in atomic
32 pho positions in atomic
{33, 5, 6, 10, 17, 19, 24, 25, 27, 28}
previous loc [136.8700925264512, 151.0656277671764, 171.76165113289764] updated loc: [133.93464208762387, 149.66516421130527, 171.27970624440576]
32 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 55 to 55 frag info
use pho situation 1
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 1
use pho situation 2
use pho situation 5
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 9
32 atomic build upon pho atoms
94 pho positions in atomic
94 pho positions in atomic
{3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 81, 82, 83, 84, 85, 86, 87, 88, 90, 91, 92, 94, 95}
previous loc [135.46930879533127, 154.34957103842686, 83.0011806995016] updated loc: [140.69680285771432, 151.6210892072355, 77.95569176189497]
previous loc [126.00504413380419, 173.08741860737103, 82.39416992440565] updated loc: [125.54482075296669, 171.3890694543613, 81.37834633168153]
previous loc [132.4664928719946, 174.23815419847625, 89.27789794978275] updated loc: [126.00504413380419, 173.08741860737103, 82.39416992440565]
previous loc [132.4664928719946, 174.23815419847625, 89.27789794978275] updated loc: [129.03040597641575, 174.96066725285388, 86.96001484403911]
previous loc [128.86734380306686, 182.1221792392093, 72.87164546140978] updated loc: [129.1021363335462, 183.4194634678288, 78.67721392565645]
previous loc [133.07889729483114, 174.28674569473242, 77.92907288273462] updated loc: [128.86734380306686, 182.1221792392093, 72.87164546140978]
previous loc [128.16334835759505, 166.71278719326367, 73.36779990655826] updated loc: [130.13374370969035, 172.2255863293663, 77.76915431969891]
previous loc [133.26660765438274, 166.73136416847134, 74.82458851593235] updated loc: [128.55075041479517, 169.7187140619098, 75.62006198073266]
previous loc [131.8331848140963, 157.98958613188572, 67.55668239709625] updated loc: [129.99026026001516, 163.00787720579692, 70.02124269860516]
previous loc [144.5265976141203, 176.1551814580836, 79.27067917645223] updated loc: [140.2792717786765, 170.54165102211388, 77.65160031199261]
previous loc [145.0194514538508, 182.0028733455104, 74.01214590010183] updated loc: [144.5265976141203, 176.1551814580836, 79.27067917645223]
previous loc [142.8767396370553, 181.711119001875, 70.7580125536644] updated loc: [145.0194514538508, 182.0028733455104, 74.01214590010183]
previous loc [131.3246339353891, 185.7959951625052, 72.63270978973823] updated loc: [142.8767396370553, 181.711119001875, 70.7580125536644]
previous loc [135.18094743965887, 190.29237575299837, 74.5868372520942] updated loc: [131.3246339353891, 185.7959951625052, 72.63270978973823]
previous loc [135.18094743965887, 190.29237575299837, 74.5868372520942] updated loc: [132.46080858817183, 187.4587204251754, 73.19405580977008]
previous loc [135.18094743965887, 190.29237575299837, 74.5868372520942] updated loc: [135.18094743965887, 190.29237575299837, 74.5868372520942]
previous loc [135.18094743965887, 190.29237575299837, 74.5868372520942] updated loc: [135.18094743965887, 190.29237575299837, 74.5868372520942]
previous loc [142.8007949233131, 189.20767194004208, 71.36520980720148] updated loc: [140.79276753070374, 187.87379876947693, 70.76821769455245]
previous loc [145.8545894537606, 188.49526579372872, 76.6557785589932] updated loc: [142.8007949233131, 189.20767194004208, 71.36520980720148]
previous loc [145.8545894537606, 188.49526579372872, 76.6557785589932] updated loc: [145.8545894537606, 188.49526579372872, 76.6557785589932]
previous loc [146.01327942899468, 185.97577823939267, 78.00249075232813] updated loc: [145.93131634113033, 190.19539696158304, 73.80202588133439]
previous loc [146.01327942899468, 185.97577823939267, 78.00249075232813] updated loc: [146.01327942899468, 185.97577823939267, 78.00249075232813]
previous loc [142.49265464934243, 175.09721154740527, 85.9400232031985] updated loc: [139.00474061901483, 183.00834855372713, 82.00249612806319]
previous loc [137.655559224849, 161.13213360392123, 85.81178760410315] updated loc: [140.40039423001969, 169.91480397736171, 89.20701751601148]
previous loc [121.57179137011273, 154.6534430452572, 80.05654734343608] updated loc: [127.18307245413891, 158.47032786216943, 84.87272496515433]
previous loc [122.48901255977334, 151.99736728003555, 77.8909054314964] updated loc: [121.57179137011273, 154.6534430452572, 80.05654734343608]
previous loc [122.98505206694287, 145.98276643294466, 77.00536773385616] updated loc: [122.48901255977334, 151.99736728003555, 77.8909054314964]
previous loc [128.2293543381064, 139.87006337292004, 77.47537437294966] updated loc: [124.30752836508513, 143.5040463948302, 76.72896031296605]
previous loc [121.47877968301185, 147.17827529121269, 91.0056687587002] updated loc: [125.4763243291533, 150.31997853971967, 92.77249874604216]
previous loc [120.90165361680296, 133.8874509529738, 88.76097296860367] updated loc: [120.26359634382126, 142.9545256646162, 89.6081984049034]
previous loc [123.76994717146975, 127.67218781710795, 96.18525758354004] updated loc: [120.90165361680296, 133.8874509529738, 88.76097296860367]
previous loc [128.0141018340732, 124.97374788532744, 104.9966074706189] updated loc: [123.15844796092959, 124.95867201463507, 99.44833659783873]
previous loc [131.442449599513, 131.397361682156, 109.73648413406629] updated loc: [128.0141018340732, 124.97374788532744, 104.9966074706189]
previous loc [133.40383445888446, 135.41985963627178, 123.72373463066722] updated loc: [133.01564192079704, 128.0012229254586, 123.0006532105905]
previous loc [132.7772650609243, 139.05844590850015, 123.7182475129751] updated loc: [133.40383445888446, 135.41985963627178, 123.72373463066722]
previous loc [123.4884000136334, 146.14189986794165, 134.3864102466972] updated loc: [127.7439518244948, 145.790843915441, 129.46352489430416]
previous loc [120.98018364794422, 142.9723025882571, 140.71939727943288] updated loc: [123.4884000136334, 146.14189986794165, 134.3864102466972]
previous loc [122.05955963418647, 139.1008352620374, 145.43362271968846] updated loc: [120.98018364794422, 142.9723025882571, 140.71939727943288]
previous loc [139.8632893197205, 142.31551078186695, 157.97417958174853] updated loc: [134.4796379504864, 137.62814630045082, 157.2176785941009]
previous loc [142.86248919392082, 148.0684277090504, 156.57296315660622] updated loc: [139.8632893197205, 142.31551078186695, 157.97417958174853]
previous loc [142.24411610277082, 154.6868107229214, 156.21274134854923] updated loc: [142.86248919392082, 148.0684277090504, 156.57296315660622]
previous loc [130.91224433231588, 163.03451173914777, 157.76094579524067] updated loc: [138.84888384908763, 159.3044858712362, 157.10339832205136]
previous loc [128.70757421198712, 165.44782091524218, 163.63100192967747] updated loc: [130.91224433231588, 163.03451173914777, 157.76094579524067]
previous loc [123.0001973164213, 160.76056203427495, 168.74760365126076] updated loc: [123.9171339543405, 162.53955269675495, 165.28920875031082]
previous loc [126.14903163185036, 160.16966636031762, 178.5144500103659] updated loc: [124.42040249079648, 161.2416181397464, 175.03636814457965]
previous loc [134.93761558204136, 161.12879681103905, 183.76701715475204] updated loc: [126.14903163185036, 160.16966636031762, 178.5144500103659]
94 pho positions in atomic
round 2 we still put 2 points into clear set
clearning changed 146 to 144 frag info
Reflection detected
Reflection detected
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 2
use pho situation 5
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 3
94 atomic build upon pho atoms
5 pho positions in atomic
5 pho positions in atomic
{3, 4, 5, 6}
previous loc [226.00777019467827, 130.85054467693354, 191.31641164973135] updated loc: [229.85288447946908, 131.10951709782904, 194.01394188822974]
previous loc [226.15007898294635, 130.46047457921316, 196.09959828743015] updated loc: [226.00777019467827, 130.85054467693354, 191.31641164973135]
previous loc [226.15007898294635, 130.46047457921316, 196.09959828743015] updated loc: [226.00777019467827, 130.85054467693354, 191.31641164973135]
5 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 8 to 7 frag info
use pho situation 6
Reflection detected
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 4
Reflection detected
5 atomic build upon pho atoms
12 pho positions in atomic
12 pho positions in atomic
{3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13}
previous loc [130.01888977122348, 141.23690632314225, 102.03565124787748] updated loc: [135.37512905419783, 136.98185798615293, 95.33383979948592]
previous loc [124.35383782566664, 141.26040798897222, 103.72989881951382] updated loc: [127.521218496175, 141.52134851299814, 102.70852785190675]
previous loc [114.67218002970642, 124.28762567008009, 113.1793802099788] updated loc: [112.52228448365945, 132.76723651228073, 106.08431080183547]
previous loc [114.67218002970642, 124.28762567008009, 113.1793802099788] updated loc: [114.48206297609585, 124.7179719762555, 110.05753504837219]
previous loc [123.73614466503926, 122.25961994305447, 120.85588561741987] updated loc: [116.07251645355846, 123.37561996985059, 116.49206633081616]
12 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 17 to 17 frag info
use pho situation 8
use pho situation 1
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
Reflection detected
use pho situation 3
Reflection detected
12 atomic build upon pho atoms
5 pho positions in atomic
5 pho positions in atomic
{2, 3, 4, 5, 6}
5 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 6 to 6 frag info
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
Reflection detected
Reflection detected
5 atomic build upon pho atoms
5 pho positions in atomic
5 pho positions in atomic
{3, 4, 5, 6}
previous loc [199.5699967323305, 156.147782161917, 89.27824856847882] updated loc: [195.36843433903292, 156.85927708872563, 91.02102011434984]
5 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 7 to 7 frag info
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 4
Reflection detected
5 atomic build upon pho atoms
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
Output_Structure_seq created
DP_search_20_2_20 created
path_0 created
path_starting_2_chain_G created
rpath_starting_2_chain_G created
path_starting_2_chain_I created
rpath_starting_2_chain_I created
path_starting_2_chain_F created
rpath_starting_2_chain_F created
path_starting_2_chain_J created
rpath_starting_2_chain_J created
Collecttop_0_2 created
path_starting_14_chain_G created
rpath_starting_14_chain_G created
path_starting_14_chain_I created
rpath_starting_14_chain_I created
path_starting_14_chain_F created
rpath_starting_14_chain_F created
path_starting_14_chain_J created
rpath_starting_14_chain_J created
Collecttop_0_14 created
path_starting_20_chain_G created
rpath_starting_20_chain_G created
path_starting_20_chain_I created
rpath_starting_20_chain_I created
path_starting_20_chain_F created
rpath_starting_20_chain_F created
path_starting_20_chain_J created
rpath_starting_20_chain_J created
Collecttop_0_20 created
path_starting_24_chain_G created
rpath_starting_24_chain_G created
path_starting_24_chain_I created
rpath_starting_24_chain_I created
path_starting_24_chain_F created
rpath_starting_24_chain_F created
path_starting_24_chain_J created
rpath_starting_24_chain_J created
Collecttop_0_24 created
path_starting_32_chain_G created
rpath_starting_32_chain_G created
path_starting_32_chain_I created
rpath_starting_32_chain_I created
path_starting_32_chain_F created
rpath_starting_32_chain_F created
path_starting_32_chain_J created
rpath_starting_32_chain_J created
Collecttop_0_32 created
path_starting_40_chain_G created
rpath_starting_40_chain_G created
path_starting_40_chain_I created
rpath_starting_40_chain_I created
path_starting_40_chain_F created
rpath_starting_40_chain_F created
path_starting_40_chain_J created
rpath_starting_40_chain_J created
Collecttop_0_40 created
path_starting_48_chain_G created
rpath_starting_48_chain_G created
path_starting_48_chain_I created
rpath_starting_48_chain_I created
path_starting_48_chain_F created
rpath_starting_48_chain_F created
path_starting_48_chain_J created
rpath_starting_48_chain_J created
Collecttop_0_48 created
path_starting_56_chain_G created
rpath_starting_56_chain_G created
path_starting_56_chain_I created
rpath_starting_56_chain_I created
path_starting_56_chain_F created
rpath_starting_56_chain_F created
path_starting_56_chain_J created
rpath_starting_56_chain_J created
Collecttop_0_56 created
path_starting_64_chain_G created
rpath_starting_64_chain_G created
path_starting_64_chain_I created
rpath_starting_64_chain_I created
path_starting_64_chain_F created
rpath_starting_64_chain_F created
path_starting_64_chain_J created
rpath_starting_64_chain_J created
Collecttop_0_64 created
path_starting_72_chain_G created
rpath_starting_72_chain_G created
path_starting_72_chain_I created
rpath_starting_72_chain_I created
path_starting_72_chain_F created
rpath_starting_72_chain_F created
path_starting_72_chain_J created
rpath_starting_72_chain_J created
Collecttop_0_72 created
path_starting_84_chain_G created
rpath_starting_84_chain_G created
path_starting_84_chain_I created
rpath_starting_84_chain_I created
path_starting_84_chain_F created
rpath_starting_84_chain_F created
path_starting_84_chain_J created
rpath_starting_84_chain_J created
Collecttop_0_84 created
path_starting_92_chain_G created
rpath_starting_92_chain_G created
path_starting_92_chain_I created
rpath_starting_92_chain_I created
path_starting_92_chain_F created
rpath_starting_92_chain_F created
path_starting_92_chain_J created
rpath_starting_92_chain_J created
Collecttop_0_92 created
path_starting_98_chain_G created
rpath_starting_98_chain_G created
path_starting_98_chain_I created
rpath_starting_98_chain_I created
path_starting_98_chain_F created
rpath_starting_98_chain_F created
path_starting_98_chain_J created
rpath_starting_98_chain_J created
Collecttop_0_98 created
path_starting_106_chain_G created
rpath_starting_106_chain_G created
path_starting_106_chain_I created
rpath_starting_106_chain_I created
path_starting_106_chain_F created
rpath_starting_106_chain_F created
path_starting_106_chain_J created
rpath_starting_106_chain_J created
Collecttop_0_106 created
path_starting_118_chain_G created
rpath_starting_118_chain_G created
path_starting_118_chain_I created
rpath_starting_118_chain_I created
path_starting_118_chain_F created
rpath_starting_118_chain_F created
path_starting_118_chain_J created
rpath_starting_118_chain_J created
Collecttop_0_118 created
path_starting_122_chain_G created
rpath_starting_122_chain_G created
path_starting_122_chain_I created
rpath_starting_122_chain_I created
path_starting_122_chain_F created
rpath_starting_122_chain_F created
path_starting_122_chain_J created
rpath_starting_122_chain_J created
Collecttop_0_122 created
path_starting_134_chain_G created
rpath_starting_134_chain_G created
path_starting_134_chain_I created
rpath_starting_134_chain_I created
path_starting_134_chain_F created
rpath_starting_134_chain_F created
path_starting_134_chain_J created
rpath_starting_134_chain_J created
Collecttop_0_134 created
path_starting_142_chain_G created
rpath_starting_142_chain_G created
path_starting_142_chain_I created
rpath_starting_142_chain_I created
path_starting_142_chain_F created
rpath_starting_142_chain_F created
path_starting_142_chain_J created
rpath_starting_142_chain_J created
Collecttop_0_142 created
path_starting_146_chain_G created
rpath_starting_146_chain_G created
path_starting_146_chain_I created
rpath_starting_146_chain_I created
path_starting_146_chain_F created
rpath_starting_146_chain_F created
path_starting_146_chain_J created
rpath_starting_146_chain_J created
Collecttop_0_146 created
path_starting_158_chain_G created
rpath_starting_158_chain_G created
path_starting_158_chain_I created
rpath_starting_158_chain_I created
path_starting_158_chain_F created
rpath_starting_158_chain_F created
path_starting_158_chain_J created
rpath_starting_158_chain_J created
Collecttop_0_158 created
path_starting_0_chain_G created
rpath_starting_0_chain_G created
path_starting_0_chain_I created
rpath_starting_0_chain_I created
path_starting_0_chain_F created
rpath_starting_0_chain_F created
path_starting_0_chain_J created
rpath_starting_0_chain_J created
Collecttop_0_0 created
path_starting_10_chain_G created
rpath_starting_10_chain_G created
path_starting_10_chain_I created
rpath_starting_10_chain_I created
path_starting_10_chain_F created
rpath_starting_10_chain_F created
path_starting_10_chain_J created
rpath_starting_10_chain_J created
Collecttop_0_10 created
path_starting_18_chain_G created
rpath_starting_18_chain_G created
path_starting_18_chain_I created
rpath_starting_18_chain_I created
path_starting_18_chain_F created
rpath_starting_18_chain_F created
path_starting_18_chain_J created
rpath_starting_18_chain_J created
Collecttop_0_18 created
path_starting_28_chain_G created
rpath_starting_28_chain_G created
path_starting_28_chain_I created
rpath_starting_28_chain_I created
path_starting_28_chain_F created
rpath_starting_28_chain_F created
path_starting_28_chain_J created
rpath_starting_28_chain_J created
Collecttop_0_28 created
path_starting_38_chain_G created
rpath_starting_38_chain_G created
path_starting_38_chain_I created
rpath_starting_38_chain_I created
path_starting_38_chain_F created
rpath_starting_38_chain_F created
path_starting_38_chain_J created
rpath_starting_38_chain_J created
Collecttop_0_38 created
path_starting_44_chain_G created
rpath_starting_44_chain_G created
path_starting_44_chain_I created
rpath_starting_44_chain_I created
path_starting_44_chain_F created
rpath_starting_44_chain_F created
path_starting_44_chain_J created
rpath_starting_44_chain_J created
Collecttop_0_44 created
path_starting_50_chain_G created
rpath_starting_50_chain_G created
path_starting_50_chain_I created
rpath_starting_50_chain_I created
path_starting_50_chain_F created
rpath_starting_50_chain_F created
path_starting_50_chain_J created
rpath_starting_50_chain_J created
Collecttop_0_50 created
path_starting_58_chain_G created
rpath_starting_58_chain_G created
path_starting_58_chain_I created
rpath_starting_58_chain_I created
path_starting_58_chain_F created
rpath_starting_58_chain_F created
path_starting_58_chain_J created
rpath_starting_58_chain_J created
Collecttop_0_58 created
path_starting_68_chain_G created
rpath_starting_68_chain_G created
path_starting_68_chain_I created
rpath_starting_68_chain_I created
path_starting_68_chain_F created
rpath_starting_68_chain_F created
path_starting_68_chain_J created
rpath_starting_68_chain_J created
Collecttop_0_68 created
path_starting_76_chain_G created
rpath_starting_76_chain_G created
path_starting_76_chain_I created
rpath_starting_76_chain_I created
path_starting_76_chain_F created
rpath_starting_76_chain_F created
path_starting_76_chain_J created
rpath_starting_76_chain_J created
Collecttop_0_76 created
path_starting_82_chain_G created
rpath_starting_82_chain_G created
path_starting_82_chain_I created
rpath_starting_82_chain_I created
path_starting_82_chain_F created
rpath_starting_82_chain_F created
path_starting_82_chain_J created
rpath_starting_82_chain_J created
Collecttop_0_82 created
path_starting_90_chain_G created
rpath_starting_90_chain_G created
path_starting_90_chain_I created
rpath_starting_90_chain_I created
path_starting_90_chain_F created
rpath_starting_90_chain_F created
path_starting_90_chain_J created
rpath_starting_90_chain_J created
Collecttop_0_90 created
path_starting_100_chain_G created
rpath_starting_100_chain_G created
path_starting_100_chain_I created
rpath_starting_100_chain_I created
path_starting_100_chain_F created
rpath_starting_100_chain_F created
path_starting_100_chain_J created
rpath_starting_100_chain_J created
Collecttop_0_100 created
path_starting_108_chain_G created
rpath_starting_108_chain_G created
path_starting_108_chain_I created
rpath_starting_108_chain_I created
path_starting_108_chain_F created
rpath_starting_108_chain_F created
path_starting_108_chain_J created
rpath_starting_108_chain_J created
Collecttop_0_108 created
path_starting_114_chain_G created
rpath_starting_114_chain_G created
path_starting_114_chain_I created
rpath_starting_114_chain_I created
path_starting_114_chain_F created
rpath_starting_114_chain_F created
path_starting_114_chain_J created
rpath_starting_114_chain_J created
Collecttop_0_114 created
path_starting_124_chain_G created
rpath_starting_124_chain_G created
path_starting_124_chain_I created
rpath_starting_124_chain_I created
path_starting_124_chain_F created
rpath_starting_124_chain_F created
path_starting_124_chain_J created
rpath_starting_124_chain_J created
Collecttop_0_124 created
path_starting_130_chain_G created
rpath_starting_130_chain_G created
path_starting_130_chain_I created
rpath_starting_130_chain_I created
path_starting_130_chain_F created
rpath_starting_130_chain_F created
path_starting_130_chain_J created
rpath_starting_130_chain_J created
Collecttop_0_130 created
path_starting_136_chain_G created
rpath_starting_136_chain_G created
path_starting_136_chain_I created
rpath_starting_136_chain_I created
path_starting_136_chain_F created
rpath_starting_136_chain_F created
path_starting_136_chain_J created
rpath_starting_136_chain_J created
Collecttop_0_136 created
path_starting_144_chain_G created
rpath_starting_144_chain_G created
path_starting_144_chain_I created
rpath_starting_144_chain_I created
path_starting_144_chain_F created
rpath_starting_144_chain_F created
path_starting_144_chain_J created
rpath_starting_144_chain_J created
Collecttop_0_144 created
path_starting_152_chain_G created
rpath_starting_152_chain_G created
path_starting_152_chain_I created
rpath_starting_152_chain_I created
path_starting_152_chain_F created
rpath_starting_152_chain_F created
path_starting_152_chain_J created
rpath_starting_152_chain_J created
Collecttop_0_152 created
path_starting_160_chain_G created
rpath_starting_160_chain_G created
path_starting_160_chain_I created
rpath_starting_160_chain_I created
path_starting_160_chain_F created
rpath_starting_160_chain_F created
path_starting_160_chain_J created
rpath_starting_160_chain_J created
Collecttop_0_160 created
path_starting_4_chain_G created
rpath_starting_4_chain_G created
path_starting_4_chain_I created
rpath_starting_4_chain_I created
path_starting_4_chain_F created
rpath_starting_4_chain_F created
path_starting_4_chain_J created
rpath_starting_4_chain_J created
Collecttop_0_4 created
path_starting_12_chain_G created
rpath_starting_12_chain_G created
path_starting_12_chain_I created
rpath_starting_12_chain_I created
path_starting_12_chain_F created
rpath_starting_12_chain_F created
path_starting_12_chain_J created
rpath_starting_12_chain_J created
Collecttop_0_12 created
path_starting_22_chain_G created
rpath_starting_22_chain_G created
path_starting_22_chain_I created
rpath_starting_22_chain_I created
path_starting_22_chain_F created
rpath_starting_22_chain_F created
path_starting_22_chain_J created
rpath_starting_22_chain_J created
Collecttop_0_22 created
path_starting_30_chain_G created
rpath_starting_30_chain_G created
path_starting_30_chain_I created
rpath_starting_30_chain_I created
path_starting_30_chain_F created
rpath_starting_30_chain_F created
path_starting_30_chain_J created
rpath_starting_30_chain_J created
Collecttop_0_30 created
path_starting_36_chain_G created
rpath_starting_36_chain_G created
path_starting_36_chain_I created
rpath_starting_36_chain_I created
path_starting_36_chain_F created
rpath_starting_36_chain_F created
path_starting_36_chain_J created
rpath_starting_36_chain_J created
Collecttop_0_36 created
path_starting_46_chain_G created
rpath_starting_46_chain_G created
path_starting_46_chain_I created
rpath_starting_46_chain_I created
path_starting_46_chain_F created
rpath_starting_46_chain_F created
path_starting_46_chain_J created
rpath_starting_46_chain_J created
Collecttop_0_46 created
path_starting_52_chain_G created
rpath_starting_52_chain_G created
path_starting_52_chain_I created
rpath_starting_52_chain_I created
path_starting_52_chain_F created
rpath_starting_52_chain_F created
path_starting_52_chain_J created
rpath_starting_52_chain_J created
Collecttop_0_52 created
path_starting_60_chain_G created
rpath_starting_60_chain_G created
path_starting_60_chain_I created
rpath_starting_60_chain_I created
path_starting_60_chain_F created
rpath_starting_60_chain_F created
path_starting_60_chain_J created
rpath_starting_60_chain_J created
Collecttop_0_60 created
path_starting_66_chain_G created
rpath_starting_66_chain_G created
path_starting_66_chain_I created
rpath_starting_66_chain_I created
path_starting_66_chain_F created
rpath_starting_66_chain_F created
path_starting_66_chain_J created
rpath_starting_66_chain_J created
Collecttop_0_66 created
path_starting_74_chain_G created
rpath_starting_74_chain_G created
path_starting_74_chain_I created
rpath_starting_74_chain_I created
path_starting_74_chain_F created
rpath_starting_74_chain_F created
path_starting_74_chain_J created
rpath_starting_74_chain_J created
Collecttop_0_74 created
path_starting_80_chain_G created
rpath_starting_80_chain_G created
path_starting_80_chain_I created
rpath_starting_80_chain_I created
path_starting_80_chain_F created
rpath_starting_80_chain_F created
path_starting_80_chain_J created
rpath_starting_80_chain_J created
Collecttop_0_80 created
path_starting_88_chain_G created
rpath_starting_88_chain_G created
path_starting_88_chain_I created
rpath_starting_88_chain_I created
path_starting_88_chain_F created
rpath_starting_88_chain_F created
path_starting_88_chain_J created
rpath_starting_88_chain_J created
Collecttop_0_88 created
path_starting_96_chain_G created
rpath_starting_96_chain_G created
path_starting_96_chain_I created
rpath_starting_96_chain_I created
path_starting_96_chain_F created
rpath_starting_96_chain_F created
path_starting_96_chain_J created
rpath_starting_96_chain_J created
Collecttop_0_96 created
path_starting_104_chain_G created
rpath_starting_104_chain_G created
path_starting_104_chain_I created
rpath_starting_104_chain_I created
path_starting_104_chain_F created
rpath_starting_104_chain_F created
path_starting_104_chain_J created
rpath_starting_104_chain_J created
Collecttop_0_104 created
path_starting_112_chain_G created
rpath_starting_112_chain_G created
path_starting_112_chain_I created
rpath_starting_112_chain_I created
path_starting_112_chain_F created
rpath_starting_112_chain_F created
path_starting_112_chain_J created
rpath_starting_112_chain_J created
Collecttop_0_112 created
path_starting_120_chain_G created
rpath_starting_120_chain_G created
path_starting_120_chain_I created
rpath_starting_120_chain_I created
path_starting_120_chain_F created
rpath_starting_120_chain_F created
path_starting_120_chain_J created
rpath_starting_120_chain_J created
Collecttop_0_120 created
path_starting_128_chain_G created
rpath_starting_128_chain_G created
path_starting_128_chain_I created
rpath_starting_128_chain_I created
path_starting_128_chain_F created
rpath_starting_128_chain_F created
path_starting_128_chain_J created
rpath_starting_128_chain_J created
Collecttop_0_128 created
path_starting_138_chain_G created
rpath_starting_138_chain_G created
path_starting_138_chain_I created
rpath_starting_138_chain_I created
path_starting_138_chain_F created
rpath_starting_138_chain_F created
path_starting_138_chain_J created
rpath_starting_138_chain_J created
Collecttop_0_138 created
path_starting_148_chain_G created
rpath_starting_148_chain_G created
path_starting_148_chain_I created
rpath_starting_148_chain_I created
path_starting_148_chain_F created
rpath_starting_148_chain_F created
path_starting_148_chain_J created
rpath_starting_148_chain_J created
Collecttop_0_148 created
path_starting_154_chain_G created
rpath_starting_154_chain_G created
path_starting_154_chain_I created
rpath_starting_154_chain_I created
path_starting_154_chain_F created
rpath_starting_154_chain_F created
path_starting_154_chain_J created
rpath_starting_154_chain_J created
Collecttop_0_154 created
path_starting_162_chain_G created
rpath_starting_162_chain_G created
path_starting_162_chain_I created
rpath_starting_162_chain_I created
path_starting_162_chain_F created
rpath_starting_162_chain_F created
path_starting_162_chain_J created
rpath_starting_162_chain_J created
Collecttop_0_162 created
path_starting_6_chain_G created
rpath_starting_6_chain_G created
path_starting_6_chain_I created
rpath_starting_6_chain_I created
path_starting_6_chain_F created
rpath_starting_6_chain_F created
path_starting_6_chain_J created
rpath_starting_6_chain_J created
Collecttop_0_6 created
path_starting_8_chain_G created
rpath_starting_8_chain_G created
path_starting_8_chain_I created
rpath_starting_8_chain_I created
path_starting_8_chain_F created
rpath_starting_8_chain_F created
path_starting_8_chain_J created
rpath_starting_8_chain_J created
Collecttop_0_8 created
path_starting_16_chain_G created
rpath_starting_16_chain_G created
path_starting_16_chain_I created
rpath_starting_16_chain_I created
path_starting_16_chain_F created
rpath_starting_16_chain_F created
path_starting_16_chain_J created
rpath_starting_16_chain_J created
Collecttop_0_16 created
path_starting_26_chain_G created
rpath_starting_26_chain_G created
path_starting_26_chain_I created
rpath_starting_26_chain_I created
path_starting_26_chain_F created
rpath_starting_26_chain_F created
path_starting_26_chain_J created
rpath_starting_26_chain_J created
Collecttop_0_26 created
path_starting_34_chain_G created
rpath_starting_34_chain_G created
path_starting_34_chain_I created
rpath_starting_34_chain_I created
path_starting_34_chain_F created
rpath_starting_34_chain_F created
path_starting_34_chain_J created
rpath_starting_34_chain_J created
Collecttop_0_34 created
path_starting_42_chain_G created
rpath_starting_42_chain_G created
path_starting_42_chain_I created
rpath_starting_42_chain_I created
path_starting_42_chain_F created
rpath_starting_42_chain_F created
path_starting_42_chain_J created
rpath_starting_42_chain_J created
Collecttop_0_42 created
path_starting_54_chain_G created
rpath_starting_54_chain_G created
path_starting_54_chain_I created
rpath_starting_54_chain_I created
path_starting_54_chain_F created
rpath_starting_54_chain_F created
path_starting_54_chain_J created
rpath_starting_54_chain_J created
Collecttop_0_54 created
path_starting_62_chain_G created
rpath_starting_62_chain_G created
path_starting_62_chain_I created
rpath_starting_62_chain_I created
path_starting_62_chain_F created
rpath_starting_62_chain_F created
path_starting_62_chain_J created
rpath_starting_62_chain_J created
Collecttop_0_62 created
path_starting_70_chain_G created
rpath_starting_70_chain_G created
path_starting_70_chain_I created
rpath_starting_70_chain_I created
path_starting_70_chain_F created
rpath_starting_70_chain_F created
path_starting_70_chain_J created
rpath_starting_70_chain_J created
Collecttop_0_70 created
path_starting_78_chain_G created
rpath_starting_78_chain_G created
path_starting_78_chain_I created
rpath_starting_78_chain_I created
path_starting_78_chain_F created
rpath_starting_78_chain_F created
path_starting_78_chain_J created
rpath_starting_78_chain_J created
Collecttop_0_78 created
path_starting_86_chain_G created
rpath_starting_86_chain_G created
path_starting_86_chain_I created
rpath_starting_86_chain_I created
path_starting_86_chain_F created
rpath_starting_86_chain_F created
path_starting_86_chain_J created
rpath_starting_86_chain_J created
Collecttop_0_86 created
path_starting_94_chain_G created
rpath_starting_94_chain_G created
path_starting_94_chain_I created
rpath_starting_94_chain_I created
path_starting_94_chain_F created
rpath_starting_94_chain_F created
path_starting_94_chain_J created
rpath_starting_94_chain_J created
Collecttop_0_94 created
path_starting_102_chain_G created
rpath_starting_102_chain_G created
path_starting_102_chain_I created
rpath_starting_102_chain_I created
path_starting_102_chain_F created
rpath_starting_102_chain_F created
path_starting_102_chain_J created
rpath_starting_102_chain_J created
Collecttop_0_102 created
path_starting_110_chain_G created
rpath_starting_110_chain_G created
path_starting_110_chain_I created
rpath_starting_110_chain_I created
path_starting_110_chain_F created
rpath_starting_110_chain_F created
path_starting_110_chain_J created
rpath_starting_110_chain_J created
Collecttop_0_110 created
path_starting_116_chain_G created
rpath_starting_116_chain_G created
path_starting_116_chain_I created
rpath_starting_116_chain_I created
path_starting_116_chain_F created
rpath_starting_116_chain_F created
path_starting_116_chain_J created
rpath_starting_116_chain_J created
Collecttop_0_116 created
path_starting_126_chain_G created
rpath_starting_126_chain_G created
path_starting_126_chain_I created
rpath_starting_126_chain_I created
path_starting_126_chain_F created
rpath_starting_126_chain_F created
path_starting_126_chain_J created
rpath_starting_126_chain_J created
Collecttop_0_126 created
path_starting_132_chain_G created
rpath_starting_132_chain_G created
path_starting_132_chain_I created
rpath_starting_132_chain_I created
path_starting_132_chain_F created
rpath_starting_132_chain_F created
path_starting_132_chain_J created
rpath_starting_132_chain_J created
Collecttop_0_132 created
path_starting_140_chain_G created
rpath_starting_140_chain_G created
path_starting_140_chain_I created
rpath_starting_140_chain_I created
path_starting_140_chain_F created
rpath_starting_140_chain_F created
path_starting_140_chain_J created
rpath_starting_140_chain_J created
Collecttop_0_140 created
path_starting_150_chain_G created
rpath_starting_150_chain_G created
path_starting_150_chain_I created
rpath_starting_150_chain_I created
path_starting_150_chain_F created
rpath_starting_150_chain_F created
path_starting_150_chain_J created
rpath_starting_150_chain_J created
Collecttop_0_150 created
path_starting_156_chain_G created
rpath_starting_156_chain_G created
path_starting_156_chain_I created
rpath_starting_156_chain_I created
path_starting_156_chain_F created
rpath_starting_156_chain_F created
path_starting_156_chain_J created
rpath_starting_156_chain_J created
Collecttop_0_156 created
path_starting_164_chain_G created
rpath_starting_164_chain_G created
path_starting_164_chain_I created
rpath_starting_164_chain_I created
path_starting_164_chain_F created
rpath_starting_164_chain_F created
path_starting_164_chain_J created
rpath_starting_164_chain_J created
Collecttop_0_164 created
we have 82 overall dict
path_1 created
path_starting_0_chain_G created
rpath_starting_0_chain_G created
path_starting_0_chain_I created
rpath_starting_0_chain_I created
path_starting_0_chain_F created
rpath_starting_0_chain_F created
path_starting_0_chain_J created
rpath_starting_0_chain_J created
Collecttop_1_0 created
path_starting_8_chain_G created
rpath_starting_8_chain_G created
path_starting_8_chain_I created
rpath_starting_8_chain_I created
path_starting_8_chain_F created
rpath_starting_8_chain_F created
path_starting_8_chain_J created
rpath_starting_8_chain_J created
Collecttop_1_8 created
path_starting_16_chain_G created
rpath_starting_16_chain_G created
path_starting_16_chain_I created
rpath_starting_16_chain_I created
path_starting_16_chain_F created
rpath_starting_16_chain_F created
path_starting_16_chain_J created
rpath_starting_16_chain_J created
Collecttop_1_16 created
path_starting_24_chain_G created
rpath_starting_24_chain_G created
path_starting_24_chain_I created
rpath_starting_24_chain_I created
path_starting_24_chain_F created
rpath_starting_24_chain_F created
path_starting_24_chain_J created
rpath_starting_24_chain_J created
Collecttop_1_24 created
path_starting_4_chain_G created
rpath_starting_4_chain_G created
path_starting_4_chain_I created
rpath_starting_4_chain_I created
path_starting_4_chain_F created
rpath_starting_4_chain_F created
path_starting_4_chain_J created
rpath_starting_4_chain_J created
Collecttop_1_4 created
path_starting_10_chain_G created
rpath_starting_10_chain_G created
path_starting_10_chain_I created
rpath_starting_10_chain_I created
path_starting_10_chain_F created
rpath_starting_10_chain_F created
path_starting_10_chain_J created
rpath_starting_10_chain_J created
Collecttop_1_10 created
path_starting_18_chain_G created
rpath_starting_18_chain_G created
path_starting_18_chain_I created
rpath_starting_18_chain_I created
path_starting_18_chain_F created
rpath_starting_18_chain_F created
path_starting_18_chain_J created
rpath_starting_18_chain_J created
Collecttop_1_18 created
path_starting_26_chain_G created
rpath_starting_26_chain_G created
path_starting_26_chain_I created
rpath_starting_26_chain_I created
path_starting_26_chain_F created
rpath_starting_26_chain_F created
path_starting_26_chain_J created
rpath_starting_26_chain_J created
Collecttop_1_26 created
path_starting_6_chain_G created
rpath_starting_6_chain_G created
path_starting_6_chain_I created
rpath_starting_6_chain_I created
path_starting_6_chain_F created
rpath_starting_6_chain_F created
path_starting_6_chain_J created
rpath_starting_6_chain_J created
Collecttop_1_6 created
path_starting_14_chain_G created
rpath_starting_14_chain_G created
path_starting_14_chain_I created
rpath_starting_14_chain_I created
path_starting_14_chain_F created
rpath_starting_14_chain_F created
path_starting_14_chain_J created
rpath_starting_14_chain_J created
Collecttop_1_14 created
path_starting_20_chain_G created
rpath_starting_20_chain_G created
path_starting_20_chain_I created
rpath_starting_20_chain_I created
path_starting_20_chain_F created
rpath_starting_20_chain_F created
path_starting_20_chain_J created
rpath_starting_20_chain_J created
Collecttop_1_20 created
path_starting_30_chain_G created
rpath_starting_30_chain_G created
path_starting_30_chain_I created
rpath_starting_30_chain_I created
path_starting_30_chain_F created
rpath_starting_30_chain_F created
path_starting_30_chain_J created
rpath_starting_30_chain_J created
Collecttop_1_30 created
path_starting_2_chain_G created
rpath_starting_2_chain_G created
path_starting_2_chain_I created
rpath_starting_2_chain_I created
path_starting_2_chain_F created
rpath_starting_2_chain_F created
path_starting_2_chain_J created
rpath_starting_2_chain_J created
Collecttop_1_2 created
path_starting_12_chain_G created
rpath_starting_12_chain_G created
path_starting_12_chain_I created
rpath_starting_12_chain_I created
path_starting_12_chain_F created
rpath_starting_12_chain_F created
path_starting_12_chain_J created
rpath_starting_12_chain_J created
Collecttop_1_12 created
path_starting_22_chain_G created
rpath_starting_22_chain_G created
path_starting_22_chain_I created
rpath_starting_22_chain_I created
path_starting_22_chain_F created
rpath_starting_22_chain_F created
path_starting_22_chain_J created
rpath_starting_22_chain_J created
Collecttop_1_22 created
path_starting_28_chain_G created
rpath_starting_28_chain_G created
path_starting_28_chain_I created
rpath_starting_28_chain_I created
path_starting_28_chain_F created
rpath_starting_28_chain_F created
path_starting_28_chain_J created
rpath_starting_28_chain_J created
Collecttop_1_28 created
we have 95 overall dict
path_2 created
path_starting_2_chain_G created
rpath_starting_2_chain_G created
path_starting_2_chain_I created
rpath_starting_2_chain_I created
path_starting_2_chain_F created
rpath_starting_2_chain_F created
path_starting_2_chain_J created
rpath_starting_2_chain_J created
Collecttop_2_2 created
path_starting_14_chain_G created
rpath_starting_14_chain_G created
path_starting_14_chain_I created
rpath_starting_14_chain_I created
path_starting_14_chain_F created
rpath_starting_14_chain_F created
path_starting_14_chain_J created
rpath_starting_14_chain_J created
Collecttop_2_14 created
path_starting_18_chain_G created
rpath_starting_18_chain_G created
path_starting_18_chain_I created
rpath_starting_18_chain_I created
path_starting_18_chain_F created
rpath_starting_18_chain_F created
path_starting_18_chain_J created
rpath_starting_18_chain_J created
Collecttop_2_18 created
path_starting_24_chain_G created
rpath_starting_24_chain_G created
path_starting_24_chain_I created
rpath_starting_24_chain_I created
path_starting_24_chain_F created
rpath_starting_24_chain_F created
path_starting_24_chain_J created
rpath_starting_24_chain_J created
Collecttop_2_24 created
path_starting_32_chain_G created
rpath_starting_32_chain_G created
path_starting_32_chain_I created
rpath_starting_32_chain_I created
path_starting_32_chain_F created
rpath_starting_32_chain_F created
path_starting_32_chain_J created
rpath_starting_32_chain_J created
Collecttop_2_32 created
path_starting_42_chain_G created
rpath_starting_42_chain_G created
path_starting_42_chain_I created
rpath_starting_42_chain_I created
path_starting_42_chain_F created
rpath_starting_42_chain_F created
path_starting_42_chain_J created
rpath_starting_42_chain_J created
Collecttop_2_42 created
path_starting_0_chain_G created
rpath_starting_0_chain_G created
path_starting_0_chain_I created
rpath_starting_0_chain_I created
path_starting_0_chain_F created
rpath_starting_0_chain_F created
path_starting_0_chain_J created
rpath_starting_0_chain_J created
Collecttop_2_0 created
path_starting_10_chain_G created
rpath_starting_10_chain_G created
path_starting_10_chain_I created
rpath_starting_10_chain_I created
path_starting_10_chain_F created
rpath_starting_10_chain_F created
path_starting_10_chain_J created
rpath_starting_10_chain_J created
Collecttop_2_10 created
path_starting_20_chain_G created
rpath_starting_20_chain_G created
path_starting_20_chain_I created
rpath_starting_20_chain_I created
path_starting_20_chain_F created
rpath_starting_20_chain_F created
path_starting_20_chain_J created
rpath_starting_20_chain_J created
Collecttop_2_20 created
path_starting_30_chain_G created
rpath_starting_30_chain_G created
path_starting_30_chain_I created
rpath_starting_30_chain_I created
path_starting_30_chain_F created
rpath_starting_30_chain_F created
path_starting_30_chain_J created
rpath_starting_30_chain_J created
Collecttop_2_30 created
path_starting_38_chain_G created
rpath_starting_38_chain_G created
path_starting_38_chain_I created
rpath_starting_38_chain_I created
path_starting_38_chain_F created
rpath_starting_38_chain_F created
path_starting_38_chain_J created
rpath_starting_38_chain_J created
Collecttop_2_38 created
path_starting_44_chain_G created
rpath_starting_44_chain_G created
path_starting_44_chain_I created
rpath_starting_44_chain_I created
path_starting_44_chain_F created
rpath_starting_44_chain_F created
path_starting_44_chain_J created
rpath_starting_44_chain_J created
Collecttop_2_44 created
path_starting_4_chain_G created
rpath_starting_4_chain_G created
path_starting_4_chain_I created
rpath_starting_4_chain_I created
path_starting_4_chain_F created
rpath_starting_4_chain_F created
path_starting_4_chain_J created
rpath_starting_4_chain_J created
Collecttop_2_4 created
path_starting_12_chain_G created
rpath_starting_12_chain_G created
path_starting_12_chain_I created
rpath_starting_12_chain_I created
path_starting_12_chain_F created
rpath_starting_12_chain_F created
path_starting_12_chain_J created
rpath_starting_12_chain_J created
Collecttop_2_12 created
path_starting_22_chain_G created
rpath_starting_22_chain_G created
path_starting_22_chain_I created
rpath_starting_22_chain_I created
path_starting_22_chain_F created
rpath_starting_22_chain_F created
path_starting_22_chain_J created
rpath_starting_22_chain_J created
Collecttop_2_22 created
path_starting_28_chain_G created
rpath_starting_28_chain_G created
path_starting_28_chain_I created
rpath_starting_28_chain_I created
path_starting_28_chain_F created
rpath_starting_28_chain_F created
path_starting_28_chain_J created
rpath_starting_28_chain_J created
Collecttop_2_28 created
path_starting_36_chain_G created
rpath_starting_36_chain_G created
path_starting_36_chain_I created
rpath_starting_36_chain_I created
path_starting_36_chain_F created
rpath_starting_36_chain_F created
path_starting_36_chain_J created
rpath_starting_36_chain_J created
Collecttop_2_36 created
path_starting_46_chain_G created
rpath_starting_46_chain_G created
path_starting_46_chain_I created
rpath_starting_46_chain_I created
path_starting_46_chain_F created
rpath_starting_46_chain_F created
path_starting_46_chain_J created
rpath_starting_46_chain_J created
Collecttop_2_46 created
path_starting_6_chain_G created
rpath_starting_6_chain_G created
path_starting_6_chain_I created
rpath_starting_6_chain_I created
path_starting_6_chain_F created
rpath_starting_6_chain_F created
path_starting_6_chain_J created
rpath_starting_6_chain_J created
Collecttop_2_6 created
path_starting_8_chain_G created
rpath_starting_8_chain_G created
path_starting_8_chain_I created
rpath_starting_8_chain_I created
path_starting_8_chain_F created
rpath_starting_8_chain_F created
path_starting_8_chain_J created
rpath_starting_8_chain_J created
Collecttop_2_8 created
path_starting_16_chain_G created
rpath_starting_16_chain_G created
path_starting_16_chain_I created
rpath_starting_16_chain_I created
path_starting_16_chain_F created
rpath_starting_16_chain_F created
path_starting_16_chain_J created
rpath_starting_16_chain_J created
Collecttop_2_16 created
path_starting_26_chain_G created
rpath_starting_26_chain_G created
path_starting_26_chain_I created
rpath_starting_26_chain_I created
path_starting_26_chain_F created
rpath_starting_26_chain_F created
path_starting_26_chain_J created
rpath_starting_26_chain_J created
Collecttop_2_26 created
path_starting_34_chain_G created
rpath_starting_34_chain_G created
path_starting_34_chain_I created
rpath_starting_34_chain_I created
path_starting_34_chain_F created
rpath_starting_34_chain_F created
path_starting_34_chain_J created
rpath_starting_34_chain_J created
Collecttop_2_34 created
path_starting_40_chain_G created
rpath_starting_40_chain_G created
path_starting_40_chain_I created
rpath_starting_40_chain_I created
path_starting_40_chain_F created
rpath_starting_40_chain_F created
path_starting_40_chain_J created
rpath_starting_40_chain_J created
Collecttop_2_40 created
path_starting_48_chain_G created
rpath_starting_48_chain_G created
path_starting_48_chain_I created
rpath_starting_48_chain_I created
path_starting_48_chain_F created
rpath_starting_48_chain_F created
path_starting_48_chain_J created
rpath_starting_48_chain_J created
Collecttop_2_48 created
we have 120 overall dict
path_3 created
we have 120 overall dict
path_4 created
path_starting_6_chain_G created
rpath_starting_6_chain_G created
path_starting_6_chain_I created
rpath_starting_6_chain_I created
path_starting_6_chain_F created
rpath_starting_6_chain_F created
path_starting_6_chain_J created
rpath_starting_6_chain_J created
Collecttop_4_6 created
path_starting_10_chain_G created
rpath_starting_10_chain_G created
path_starting_10_chain_I created
rpath_starting_10_chain_I created
path_starting_10_chain_F created
rpath_starting_10_chain_F created
path_starting_10_chain_J created
rpath_starting_10_chain_J created
Collecttop_4_10 created
path_starting_18_chain_G created
rpath_starting_18_chain_G created
path_starting_18_chain_I created
rpath_starting_18_chain_I created
path_starting_18_chain_F created
rpath_starting_18_chain_F created
path_starting_18_chain_J created
rpath_starting_18_chain_J created
Collecttop_4_18 created
path_starting_26_chain_G created
rpath_starting_26_chain_G created
path_starting_26_chain_I created
rpath_starting_26_chain_I created
path_starting_26_chain_F created
rpath_starting_26_chain_F created
path_starting_26_chain_J created
rpath_starting_26_chain_J created
Collecttop_4_26 created
path_starting_34_chain_G created
rpath_starting_34_chain_G created
path_starting_34_chain_I created
rpath_starting_34_chain_I created
path_starting_34_chain_F created
rpath_starting_34_chain_F created
path_starting_34_chain_J created
rpath_starting_34_chain_J created
Collecttop_4_34 created
path_starting_44_chain_G created
rpath_starting_44_chain_G created
path_starting_44_chain_I created
rpath_starting_44_chain_I created
path_starting_44_chain_F created
rpath_starting_44_chain_F created
path_starting_44_chain_J created
rpath_starting_44_chain_J created
Collecttop_4_44 created
path_starting_52_chain_G created
rpath_starting_52_chain_G created
path_starting_52_chain_I created
rpath_starting_52_chain_I created
path_starting_52_chain_F created
rpath_starting_52_chain_F created
path_starting_52_chain_J created
rpath_starting_52_chain_J created
Collecttop_4_52 created
path_starting_58_chain_G created
rpath_starting_58_chain_G created
path_starting_58_chain_I created
rpath_starting_58_chain_I created
path_starting_58_chain_F created
rpath_starting_58_chain_F created
path_starting_58_chain_J created
rpath_starting_58_chain_J created
Collecttop_4_58 created
path_starting_70_chain_G created
rpath_starting_70_chain_G created
path_starting_70_chain_I created
rpath_starting_70_chain_I created
path_starting_70_chain_F created
rpath_starting_70_chain_F created
path_starting_70_chain_J created
rpath_starting_70_chain_J created
Collecttop_4_70 created
path_starting_76_chain_G created
rpath_starting_76_chain_G created
path_starting_76_chain_I created
rpath_starting_76_chain_I created
path_starting_76_chain_F created
rpath_starting_76_chain_F created
path_starting_76_chain_J created
rpath_starting_76_chain_J created
Collecttop_4_76 created
path_starting_82_chain_G created
rpath_starting_82_chain_G created
path_starting_82_chain_I created
rpath_starting_82_chain_I created
path_starting_82_chain_F created
rpath_starting_82_chain_F created
path_starting_82_chain_J created
rpath_starting_82_chain_J created
Collecttop_4_82 created
path_starting_90_chain_G created
rpath_starting_90_chain_G created
path_starting_90_chain_I created
rpath_starting_90_chain_I created
path_starting_90_chain_F created
rpath_starting_90_chain_F created
path_starting_90_chain_J created
rpath_starting_90_chain_J created
Collecttop_4_90 created
path_starting_100_chain_G created
rpath_starting_100_chain_G created
path_starting_100_chain_I created
rpath_starting_100_chain_I created
path_starting_100_chain_F created
rpath_starting_100_chain_F created
path_starting_100_chain_J created
rpath_starting_100_chain_J created
Collecttop_4_100 created
path_starting_108_chain_G created
rpath_starting_108_chain_G created
path_starting_108_chain_I created
rpath_starting_108_chain_I created
path_starting_108_chain_F created
rpath_starting_108_chain_F created
path_starting_108_chain_J created
rpath_starting_108_chain_J created
Collecttop_4_108 created
path_starting_116_chain_G created
rpath_starting_116_chain_G created
path_starting_116_chain_I created
rpath_starting_116_chain_I created
path_starting_116_chain_F created
rpath_starting_116_chain_F created
path_starting_116_chain_J created
rpath_starting_116_chain_J created
Collecttop_4_116 created
path_starting_126_chain_G created
rpath_starting_126_chain_G created
path_starting_126_chain_I created
rpath_starting_126_chain_I created
path_starting_126_chain_F created
rpath_starting_126_chain_F created
path_starting_126_chain_J created
rpath_starting_126_chain_J created
Collecttop_4_126 created
path_starting_132_chain_G created
rpath_starting_132_chain_G created
path_starting_132_chain_I created
rpath_starting_132_chain_I created
path_starting_132_chain_F created
rpath_starting_132_chain_F created
path_starting_132_chain_J created
rpath_starting_132_chain_J created
Collecttop_4_132 created
path_starting_142_chain_G created
rpath_starting_142_chain_G created
path_starting_142_chain_I created
rpath_starting_142_chain_I created
path_starting_142_chain_F created
rpath_starting_142_chain_F created
path_starting_142_chain_J created
rpath_starting_142_chain_J created
Collecttop_4_142 created
path_starting_150_chain_G created
rpath_starting_150_chain_G created
path_starting_150_chain_I created
rpath_starting_150_chain_I created
path_starting_150_chain_F created
rpath_starting_150_chain_F created
path_starting_150_chain_J created
rpath_starting_150_chain_J created
Collecttop_4_150 created
path_starting_0_chain_G created
rpath_starting_0_chain_G created
path_starting_0_chain_I created
rpath_starting_0_chain_I created
path_starting_0_chain_F created
rpath_starting_0_chain_F created
path_starting_0_chain_J created
rpath_starting_0_chain_J created
Collecttop_4_0 created
path_starting_8_chain_G created
rpath_starting_8_chain_G created
path_starting_8_chain_I created
rpath_starting_8_chain_I created
path_starting_8_chain_F created
rpath_starting_8_chain_F created
path_starting_8_chain_J created
rpath_starting_8_chain_J created
Collecttop_4_8 created
path_starting_16_chain_G created
rpath_starting_16_chain_G created
path_starting_16_chain_I created
rpath_starting_16_chain_I created
path_starting_16_chain_F created
rpath_starting_16_chain_F created
path_starting_16_chain_J created
rpath_starting_16_chain_J created
Collecttop_4_16 created
path_starting_24_chain_G created
rpath_starting_24_chain_G created
path_starting_24_chain_I created
rpath_starting_24_chain_I created
path_starting_24_chain_F created
rpath_starting_24_chain_F created
path_starting_24_chain_J created
rpath_starting_24_chain_J created
Collecttop_4_24 created
path_starting_32_chain_G created
rpath_starting_32_chain_G created
path_starting_32_chain_I created
rpath_starting_32_chain_I created
path_starting_32_chain_F created
rpath_starting_32_chain_F created
path_starting_32_chain_J created
rpath_starting_32_chain_J created
Collecttop_4_32 created
path_starting_40_chain_G created
rpath_starting_40_chain_G created
path_starting_40_chain_I created
rpath_starting_40_chain_I created
path_starting_40_chain_F created
rpath_starting_40_chain_F created
path_starting_40_chain_J created
rpath_starting_40_chain_J created
Collecttop_4_40 created
path_starting_48_chain_G created
rpath_starting_48_chain_G created
path_starting_48_chain_I created
rpath_starting_48_chain_I created
path_starting_48_chain_F created
rpath_starting_48_chain_F created
path_starting_48_chain_J created
rpath_starting_48_chain_J created
Collecttop_4_48 created
path_starting_56_chain_G created
rpath_starting_56_chain_G created
path_starting_56_chain_I created
rpath_starting_56_chain_I created
path_starting_56_chain_F created
rpath_starting_56_chain_F created
path_starting_56_chain_J created
rpath_starting_56_chain_J created
Collecttop_4_56 created
path_starting_64_chain_G created
rpath_starting_64_chain_G created
path_starting_64_chain_I created
rpath_starting_64_chain_I created
path_starting_64_chain_F created
rpath_starting_64_chain_F created
path_starting_64_chain_J created
rpath_starting_64_chain_J created
Collecttop_4_64 created
path_starting_72_chain_G created
rpath_starting_72_chain_G created
path_starting_72_chain_I created
rpath_starting_72_chain_I created
path_starting_72_chain_F created
rpath_starting_72_chain_F created
path_starting_72_chain_J created
rpath_starting_72_chain_J created
Collecttop_4_72 created
path_starting_80_chain_G created
rpath_starting_80_chain_G created
path_starting_80_chain_I created
rpath_starting_80_chain_I created
path_starting_80_chain_F created
rpath_starting_80_chain_F created
path_starting_80_chain_J created
rpath_starting_80_chain_J created
Collecttop_4_80 created
path_starting_88_chain_G created
rpath_starting_88_chain_G created
path_starting_88_chain_I created
rpath_starting_88_chain_I created
path_starting_88_chain_F created
rpath_starting_88_chain_F created
path_starting_88_chain_J created
rpath_starting_88_chain_J created
Collecttop_4_88 created
path_starting_96_chain_G created
rpath_starting_96_chain_G created
path_starting_96_chain_I created
rpath_starting_96_chain_I created
path_starting_96_chain_F created
rpath_starting_96_chain_F created
path_starting_96_chain_J created
rpath_starting_96_chain_J created
Collecttop_4_96 created
path_starting_104_chain_G created
rpath_starting_104_chain_G created
path_starting_104_chain_I created
rpath_starting_104_chain_I created
path_starting_104_chain_F created
rpath_starting_104_chain_F created
path_starting_104_chain_J created
rpath_starting_104_chain_J created
Collecttop_4_104 created
path_starting_112_chain_G created
rpath_starting_112_chain_G created
path_starting_112_chain_I created
rpath_starting_112_chain_I created
path_starting_112_chain_F created
rpath_starting_112_chain_F created
path_starting_112_chain_J created
rpath_starting_112_chain_J created
Collecttop_4_112 created
path_starting_120_chain_G created
rpath_starting_120_chain_G created
path_starting_120_chain_I created
rpath_starting_120_chain_I created
path_starting_120_chain_F created
rpath_starting_120_chain_F created
path_starting_120_chain_J created
rpath_starting_120_chain_J created
Collecttop_4_120 created
path_starting_128_chain_G created
rpath_starting_128_chain_G created
path_starting_128_chain_I created
rpath_starting_128_chain_I created
path_starting_128_chain_F created
rpath_starting_128_chain_F created
path_starting_128_chain_J created
rpath_starting_128_chain_J created
Collecttop_4_128 created
path_starting_136_chain_G created
rpath_starting_136_chain_G created
path_starting_136_chain_I created
rpath_starting_136_chain_I created
path_starting_136_chain_F created
rpath_starting_136_chain_F created
path_starting_136_chain_J created
rpath_starting_136_chain_J created
Collecttop_4_136 created
path_starting_144_chain_G created
rpath_starting_144_chain_G created
path_starting_144_chain_I created
rpath_starting_144_chain_I created
path_starting_144_chain_F created
rpath_starting_144_chain_F created
path_starting_144_chain_J created
rpath_starting_144_chain_J created
Collecttop_4_144 created
path_starting_152_chain_G created
rpath_starting_152_chain_G created
path_starting_152_chain_I created
rpath_starting_152_chain_I created
path_starting_152_chain_F created
rpath_starting_152_chain_F created
path_starting_152_chain_J created
rpath_starting_152_chain_J created
Collecttop_4_152 created
path_starting_4_chain_G created
rpath_starting_4_chain_G created
path_starting_4_chain_I created
rpath_starting_4_chain_I created
path_starting_4_chain_F created
rpath_starting_4_chain_F created
path_starting_4_chain_J created
rpath_starting_4_chain_J created
Collecttop_4_4 created
path_starting_14_chain_G created
rpath_starting_14_chain_G created
path_starting_14_chain_I created
rpath_starting_14_chain_I created
path_starting_14_chain_F created
rpath_starting_14_chain_F created
path_starting_14_chain_J created
rpath_starting_14_chain_J created
Collecttop_4_14 created
path_starting_22_chain_G created
rpath_starting_22_chain_G created
path_starting_22_chain_I created
rpath_starting_22_chain_I created
path_starting_22_chain_F created
rpath_starting_22_chain_F created
path_starting_22_chain_J created
rpath_starting_22_chain_J created
Collecttop_4_22 created
path_starting_28_chain_G created
rpath_starting_28_chain_G created
path_starting_28_chain_I created
rpath_starting_28_chain_I created
path_starting_28_chain_F created
rpath_starting_28_chain_F created
path_starting_28_chain_J created
rpath_starting_28_chain_J created
Collecttop_4_28 created
path_starting_36_chain_G created
rpath_starting_36_chain_G created
path_starting_36_chain_I created
rpath_starting_36_chain_I created
path_starting_36_chain_F created
rpath_starting_36_chain_F created
path_starting_36_chain_J created
rpath_starting_36_chain_J created
Collecttop_4_36 created
path_starting_46_chain_G created
rpath_starting_46_chain_G created
path_starting_46_chain_I created
rpath_starting_46_chain_I created
path_starting_46_chain_F created
rpath_starting_46_chain_F created
path_starting_46_chain_J created
rpath_starting_46_chain_J created
Collecttop_4_46 created
path_starting_50_chain_G created
rpath_starting_50_chain_G created
path_starting_50_chain_I created
rpath_starting_50_chain_I created
path_starting_50_chain_F created
rpath_starting_50_chain_F created
path_starting_50_chain_J created
rpath_starting_50_chain_J created
Collecttop_4_50 created
path_starting_62_chain_G created
rpath_starting_62_chain_G created
path_starting_62_chain_I created
rpath_starting_62_chain_I created
path_starting_62_chain_F created
rpath_starting_62_chain_F created
path_starting_62_chain_J created
rpath_starting_62_chain_J created
Collecttop_4_62 created
path_starting_68_chain_G created
rpath_starting_68_chain_G created
path_starting_68_chain_I created
rpath_starting_68_chain_I created
path_starting_68_chain_F created
rpath_starting_68_chain_F created
path_starting_68_chain_J created
rpath_starting_68_chain_J created
Collecttop_4_68 created
path_starting_74_chain_G created
rpath_starting_74_chain_G created
path_starting_74_chain_I created
rpath_starting_74_chain_I created
path_starting_74_chain_F created
rpath_starting_74_chain_F created
path_starting_74_chain_J created
rpath_starting_74_chain_J created
Collecttop_4_74 created
path_starting_84_chain_G created
rpath_starting_84_chain_G created
path_starting_84_chain_I created
rpath_starting_84_chain_I created
path_starting_84_chain_F created
rpath_starting_84_chain_F created
path_starting_84_chain_J created
rpath_starting_84_chain_J created
Collecttop_4_84 created
path_starting_92_chain_G created
rpath_starting_92_chain_G created
path_starting_92_chain_I created
rpath_starting_92_chain_I created
path_starting_92_chain_F created
rpath_starting_92_chain_F created
path_starting_92_chain_J created
rpath_starting_92_chain_J created
Collecttop_4_92 created
path_starting_98_chain_G created
rpath_starting_98_chain_G created
path_starting_98_chain_I created
rpath_starting_98_chain_I created
path_starting_98_chain_F created
rpath_starting_98_chain_F created
path_starting_98_chain_J created
rpath_starting_98_chain_J created
Collecttop_4_98 created
path_starting_106_chain_G created
rpath_starting_106_chain_G created
path_starting_106_chain_I created
rpath_starting_106_chain_I created
path_starting_106_chain_F created
rpath_starting_106_chain_F created
path_starting_106_chain_J created
rpath_starting_106_chain_J created
Collecttop_4_106 created
path_starting_114_chain_G created
rpath_starting_114_chain_G created
path_starting_114_chain_I created
rpath_starting_114_chain_I created
path_starting_114_chain_F created
rpath_starting_114_chain_F created
path_starting_114_chain_J created
rpath_starting_114_chain_J created
Collecttop_4_114 created
path_starting_122_chain_G created
rpath_starting_122_chain_G created
path_starting_122_chain_I created
rpath_starting_122_chain_I created
path_starting_122_chain_F created
rpath_starting_122_chain_F created
path_starting_122_chain_J created
rpath_starting_122_chain_J created
Collecttop_4_122 created
path_starting_130_chain_G created
rpath_starting_130_chain_G created
path_starting_130_chain_I created
rpath_starting_130_chain_I created
path_starting_130_chain_F created
rpath_starting_130_chain_F created
path_starting_130_chain_J created
rpath_starting_130_chain_J created
Collecttop_4_130 created
path_starting_138_chain_G created
rpath_starting_138_chain_G created
path_starting_138_chain_I created
rpath_starting_138_chain_I created
path_starting_138_chain_F created
rpath_starting_138_chain_F created
path_starting_138_chain_J created
rpath_starting_138_chain_J created
Collecttop_4_138 created
path_starting_146_chain_G created
rpath_starting_146_chain_G created
path_starting_146_chain_I created
rpath_starting_146_chain_I created
path_starting_146_chain_F created
rpath_starting_146_chain_F created
path_starting_146_chain_J created
rpath_starting_146_chain_J created
Collecttop_4_146 created
path_starting_154_chain_G created
rpath_starting_154_chain_G created
path_starting_154_chain_I created
rpath_starting_154_chain_I created
path_starting_154_chain_F created
rpath_starting_154_chain_F created
path_starting_154_chain_J created
rpath_starting_154_chain_J created
Collecttop_4_154 created
path_starting_2_chain_G created
rpath_starting_2_chain_G created
path_starting_2_chain_I created
rpath_starting_2_chain_I created
path_starting_2_chain_F created
rpath_starting_2_chain_F created
path_starting_2_chain_J created
rpath_starting_2_chain_J created
Collecttop_4_2 created
path_starting_12_chain_G created
rpath_starting_12_chain_G created
path_starting_12_chain_I created
rpath_starting_12_chain_I created
path_starting_12_chain_F created
rpath_starting_12_chain_F created
path_starting_12_chain_J created
rpath_starting_12_chain_J created
Collecttop_4_12 created
path_starting_20_chain_G created
rpath_starting_20_chain_G created
path_starting_20_chain_I created
rpath_starting_20_chain_I created
path_starting_20_chain_F created
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path_starting_20_chain_J created
rpath_starting_20_chain_J created
Collecttop_4_20 created
path_starting_30_chain_G created
rpath_starting_30_chain_G created
path_starting_30_chain_I created
rpath_starting_30_chain_I created
path_starting_30_chain_F created
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path_starting_30_chain_J created
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Collecttop_4_30 created
path_starting_38_chain_G created
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path_starting_38_chain_I created
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path_starting_38_chain_F created
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path_starting_38_chain_J created
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Collecttop_4_38 created
path_starting_42_chain_G created
rpath_starting_42_chain_G created
path_starting_42_chain_I created
rpath_starting_42_chain_I created
path_starting_42_chain_F created
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path_starting_42_chain_J created
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Collecttop_4_42 created
path_starting_54_chain_G created
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path_starting_54_chain_I created
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path_starting_54_chain_F created
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path_starting_54_chain_J created
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path_starting_60_chain_G created
rpath_starting_60_chain_G created
path_starting_60_chain_I created
rpath_starting_60_chain_I created
path_starting_60_chain_F created
rpath_starting_60_chain_F created
path_starting_60_chain_J created
rpath_starting_60_chain_J created
Collecttop_4_60 created
path_starting_66_chain_G created
rpath_starting_66_chain_G created
path_starting_66_chain_I created
rpath_starting_66_chain_I created
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rpath_starting_66_chain_J created
Collecttop_4_66 created
path_starting_78_chain_G created
rpath_starting_78_chain_G created
path_starting_78_chain_I created
rpath_starting_78_chain_I created
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rpath_starting_86_chain_I created
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rpath_starting_94_chain_I created
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Collecttop_4_94 created
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path_starting_102_chain_I created
rpath_starting_102_chain_I created
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path_starting_110_chain_I created
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path_starting_110_chain_F created
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rpath_starting_110_chain_J created
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path_starting_118_chain_G created
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path_starting_118_chain_I created
rpath_starting_118_chain_I created
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rpath_starting_118_chain_J created
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path_starting_124_chain_G created
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rpath_starting_124_chain_I created
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rpath_starting_124_chain_J created
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rpath_starting_140_chain_G created
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rpath_starting_140_chain_I created
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path_starting_156_chain_F created
rpath_starting_156_chain_F created
path_starting_156_chain_J created
rpath_starting_156_chain_J created
Collecttop_4_156 created
we have 199 overall dict
path_5 created
path_starting_0_chain_G created
rpath_starting_0_chain_G created
path_starting_0_chain_I created
rpath_starting_0_chain_I created
path_starting_0_chain_F created
rpath_starting_0_chain_F created
path_starting_0_chain_J created
rpath_starting_0_chain_J created
Collecttop_5_0 created
we have 200 overall dict
path_6 created
path_starting_6_chain_G created
rpath_starting_6_chain_G created
path_starting_6_chain_I created
rpath_starting_6_chain_I created
path_starting_6_chain_F created
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path_starting_6_chain_J created
rpath_starting_6_chain_J created
Collecttop_6_6 created
path_starting_0_chain_G created
rpath_starting_0_chain_G created
path_starting_0_chain_I created
rpath_starting_0_chain_I created
path_starting_0_chain_F created
rpath_starting_0_chain_F created
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rpath_starting_0_chain_J created
Collecttop_6_0 created
path_starting_8_chain_G created
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rpath_starting_8_chain_J created
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rpath_starting_4_chain_G created
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rpath_starting_4_chain_J created
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rpath_starting_10_chain_I created
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path_starting_2_chain_G created
rpath_starting_2_chain_G created
path_starting_2_chain_I created
rpath_starting_2_chain_I created
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rpath_starting_2_chain_J created
Collecttop_6_2 created
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rpath_starting_12_chain_G created
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rpath_starting_12_chain_I created
path_starting_12_chain_F created
rpath_starting_12_chain_F created
path_starting_12_chain_J created
rpath_starting_12_chain_J created
Collecttop_6_12 created
we have 207 overall dict
path_7 created
we have 207 overall dict
path_8 created
path_starting_0_chain_G created
rpath_starting_0_chain_G created
path_starting_0_chain_I created
rpath_starting_0_chain_I created
path_starting_0_chain_F created
rpath_starting_0_chain_F created
path_starting_0_chain_J created
rpath_starting_0_chain_J created
Collecttop_8_0 created

Starting CP-SAT solver v9.4.1874
Parameters: max_time_in_seconds: 1728 log_search_progress: true num_search_workers: 8

Initial optimization model '':
#Variables: 4160 (#bools:4160 in objective)
- 4160 Booleans in [0,1]
#kLinearN: 4160 (#enforced: 4160) (#terms: 3229588)

Starting presolve at 0.06s
[ExtractEncodingFromLinear] #potential_supersets=0 #potential_subsets=0 #at_most_one_encodings=0 #exactly_one_encodings=0 #unique_terms=0 #multiple_terms=0 #literals=0 time=2.3355e-05s
4060)
[Probing] implications and bool_or (work_done=6149452).
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[SAT presolve] num trivial clauses: 0
[SAT presolve] [0s] clauses:3066606 literals:6133212 vars:4060 one_side_vars:4060 simple_definition:0 singleton_clauses:0
[SAT presolve] [3.33699s] clauses:2248855 literals:4497710 vars:4060 one_side_vars:4060 simple_definition:0 singleton_clauses:0
[MaxClique] Merged 2248855(4497710 literals) into 1377134(2864824 literals) at_most_ones.
[DetectDuplicateConstraints] #duplicates=0 #without_enforcements=0 time=0.89739s
[DetectDominatedLinearConstraints] #relevant_constraints=0 #work_done=0 #num_inclusions=0 #num_redundant=0 time=0.0120999s
[DetectOverlappingColumns] #processed_columns=0 #work_done=0 #nz_reduction=0 time=0.125906s
[ProcessSetPPC] #relevant_constraints=1377134 #num_inclusions=0 work=100000001 time=3.24611s
[Symmetry] Graph for symmetry has 13523 nodes and 2872940 arcs.
[Symmetry] Symmetry computation done. time: 0.0168193 dtime: 0.0723999
[Symmetry] #generators: 8, average support size: 2
[Symmetry] 8 orbits with sizes: 2,2,2,2,2,2,2,2
[Symmetry] Found orbitope of size 1 x 2
4060)
[Probing] implications and bool_or (work_done=2994110).
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[SAT presolve] num trivial clauses: 0
[SAT presolve] [0s] clauses:1375888 literals:2751776 vars:4058 one_side_vars:4057 simple_definition:1 singleton_clauses:0
[SAT presolve] [3.08445s] clauses:1375888 literals:2751776 vars:4058 one_side_vars:4057 simple_definition:1 singleton_clauses:0
[DetectDuplicateConstraints] #duplicates=0 #without_enforcements=0 time=0.0683894s
[DetectDominatedLinearConstraints] #relevant_constraints=0 #work_done=0 #num_inclusions=0 #num_redundant=0 time=0.0122708s
[DetectOverlappingColumns] #processed_columns=0 #work_done=0 #nz_reduction=0 time=0.0668237s
[ProcessSetPPC] #relevant_constraints=1247 #num_inclusions=0 work=4011133 time=0.0268893s
[Symmetry] Graph for symmetry has 13523 nodes and 2872942 arcs.
[Symmetry] Symmetry computation done. time: 0.0171964 dtime: 0.0723314
[Symmetry] #generators: 7, average support size: 2
[Symmetry] 7 orbits with sizes: 2,2,2,2,2,2,2
[Symmetry] Found orbitope of size 1 x 2
4060)
[Probing] implications and bool_or (work_done=2994112).
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[SAT presolve] num trivial clauses: 0
[SAT presolve] [0s] clauses:1375889 literals:2751778 vars:4058 one_side_vars:4056 simple_definition:2 singleton_clauses:0
[SAT presolve] [3.1776s] clauses:1375889 literals:2751778 vars:4058 one_side_vars:4056 simple_definition:2 singleton_clauses:0
[DetectDuplicateConstraints] #duplicates=0 #without_enforcements=0 time=0.0532957s
[DetectDominatedLinearConstraints] #relevant_constraints=0 #work_done=0 #num_inclusions=0 #num_redundant=0 time=0.0125743s
[DetectOverlappingColumns] #processed_columns=0 #work_done=0 #nz_reduction=0 time=0.0661554s
[ProcessSetPPC] #relevant_constraints=1247 #num_inclusions=0 work=4011133 time=0.0266644s
[Symmetry] Graph for symmetry has 13523 nodes and 2872944 arcs.
[Symmetry] Symmetry computation done. time: 0.0172547 dtime: 0.0722427
[Symmetry] #generators: 6, average support size: 2
[Symmetry] 6 orbits with sizes: 2,2,2,2,2,2
[Symmetry] Found orbitope of size 1 x 2

Presolve summary:
- 0 affine relations were detected.
- rule 'TODO dual: only one unspecified blocking constraint?' was applied 40588 times.
- rule 'TODO linear2: contains a Boolean.' was applied 6 times.
- rule 'TODO symmetry: add symmetry breaking inequalities?' was applied 3 times.
- rule 'at_most_one: transformed into max clique.' was applied 1 time.
- rule 'bool_and: fixed literals' was applied 3989 times.
- rule 'bool_or: implications' was applied 3 times.
- rule 'deductions: 3229588 stored' was applied 1 time.
- rule 'dual: fix variable' was applied 100 times.
- rule 'enforcement: false literal' was applied 100 times.
- rule 'linear: negative clause' was applied 3 times.
- rule 'linear: negative reified and' was applied 4160 times.
- rule 'linear: simplified rhs' was applied 3 times.
- rule 'presolve: 100 unused variables removed.' was applied 1 time.
- rule 'presolve: iteration' was applied 3 times.
- rule 'symmetry: added symmetry breaking inequality' was applied 3 times.

Presolved optimization model '':
#Variables: 4060 (#bools:4060 in objective)
- 4060 Booleans in [0,1]
#kAtMostOne: 1247 (#literals: 113050)
#kBoolAnd: 4057 (#enforced: 4057) (#literals: 1375890)

Preloading model.
[Symmetry] Graph for symmetry has 13423 nodes and 2872946 arcs.
[Symmetry] Symmetry computation done. time: 0.0176586 dtime: 0.072103
[Symmetry] #generators: 5, average support size: 2
[Symmetry] Found orbitope of size 1 x 2
#Bound 29.99s best:-inf next:[-0,267996006] initial_domain
5304

Starting Search at 30.12s with 8 workers.
6 full subsolvers: [default_lp, no_lp, max_lp, core, reduced_costs, pseudo_costs]
Interleaved subsolvers: [feasibility_pump, rnd_var_lns_default, rnd_cst_lns_default, graph_var_lns_default, graph_cst_lns_default, rins_lns_default, rens_lns_default]
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#Bound 31.23s best:2610340 next:[2610341,24467314] am1_presolve num_literals:4060 num_am1:262 increase:243528692 work_done:3070669
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#20 32.64s best:13324278 next:[13324279,23341804] graph_var_lns_default(d=0.50 s=10 t=0.10 p=0.00)
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#23 36.10s best:13789848 next:[13789849,22763087] graph_var_lns_default(d=0.71 s=15 t=0.10 p=1.00) [hint]
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#29 41.17s best:15289356 next:[15289357,22414586] rnd_var_lns_default(d=0.81 s=19 t=0.10 p=1.00)
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#Bound 64.69s best:15503714 next:[15503715,18975776] pseudo_costs
#Bound 77.03s best:15503714 next:[15503715,18146122] reduced_costs
#31 77.20s best:15506100 next:[15506101,18146122] graph_cst_lns_default(d=0.37 s=45 t=0.10 p=0.40)
5304
#32 77.42s best:15544913 next:[15544914,18146122] rins_lns_default_lp(d=0.88 s=46 t=0.10 p=0.80)
#33 77.96s best:15732544 next:[15732545,18146122] rnd_var_lns_default(d=0.92 s=49 t=0.10 p=0.83)
#Bound 91.19s best:15732544 next:[15732545,15897007] pseudo_costs
5304
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#Bound 121.71s best:15732544 next:[15732545,15854727] pseudo_costs
5304
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#Bound 147.34s best:15732544 next:[15732545,15799907] reduced_costs
5304
#Bound 151.61s best:15732544 next:[15732545,15780520] reduced_costs
#Bound 154.89s best:15732544 next:[15732545,15764938] reduced_costs
#Done 155.39s pseudo_costs
5304

Sub-solver search statistics:
'max_lp':
LP statistics:
final dimension: 1313190 rows, 4060 columns, 1133912 entries with magnitude in [3.102016e-01, 1.000000e+00]
total number of simplex iterations: 5808
num solves:
- #OPTIMAL: 9
- #DUAL_FEASIBLE: 2
managed constraints: 1313242
merged constraints: 1
shortened constraints: 779583
num simplifications: 779583
total cuts added: 167 (out of 15514 calls)
- 'ZERO_HALF': 167

'reduced_costs':
LP statistics:
final dimension: 4189 rows, 4060 columns, 21624 entries with magnitude in [4.082483e-01, 1.000000e+00]
total number of simplex iterations: 151068
num solves:
- #OPTIMAL: 174
- #DUAL_FEASIBLE: 135
managed constraints: 1315642
merged constraints: 1
shortened constraints: 1257072
num simplifications: 31802164
total cuts added: 2567 (out of 38411 calls)
- 'ZERO_HALF': 25
- 'clique': 2542

'pseudo_costs':
LP statistics:
final dimension: 2499 rows, 4060 columns, 35328 entries with magnitude in [3.102016e-01, 1.000000e+00]
total number of simplex iterations: 186857
num solves:
- #OPTIMAL: 294
- #DUAL_FEASIBLE: 202
managed constraints: 1315771
merged constraints: 14
shortened constraints: 940362
num simplifications: 9296079
total cuts added: 2696 (out of 21040 calls)
- 'ZERO_HALF': 89
- 'clique': 2607


Solutions found per subsolver:
'core': 21
'graph_cst_lns_default': 1
'graph_var_lns_default': 2
'no_lp': 5
'pseudo_costs': 1
'rins_lns_default_lp': 1
'rnd_var_lns_default': 2

Objective bounds found per subsolver:
'am1_presolve': 1
'bool_core': 23
'initial_domain': 1
'pseudo_costs': 3
'reduced_costs': 4

Improving variable bounds shared per subsolver:
'pseudo_costs': 1545
'reduced_costs': 1157

Clauses shared per subsolver:
'reduced_costs': 4

CpSolverResponse summary:
status: OPTIMAL
objective: 15732544
best_bound: 15732544
booleans: 4060
conflicts: 0
branches: 8120
propagations: 3068071
integer_propagations: 3077723
restarts: 8120
lp_iterations: 5808
walltime: 156.169
usertime: 156.169
deterministic_time: 401.4
gap_integral: 647.808

we have 208 overall dict
AssembleFactory_strict_20_2_20 created
in total we have 4160 fragements to assemble
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------------------------------
ldp overlap collision report:
1. different chain or different direction:1131917
2. no overlap in sequence:83420
3. matched region sequence no overlap:46718
4. matched region sequence low identity:62328
# Total acceptable pass ldp overlap check: 45817
------------------------------
seq overlap collision report:
1. interaction of different direction assignment:972826
2. interaction of same direction assignment:931338
3. nearby assignment did not satisfy distance constraint:0
# Total acceptable pass for seq in same chain:14027076
------------------------------
#Adding constraints
#Setting Objective Score
#Start Solving...
Time limit is set to 1728 seconds
Solution 0, time = 31.34 s, objective = 2190477
Solution 1, time = 31.34 s, objective = 2610340
Solution 2, time = 31.34 s, objective = 4030143
Solution 3, time = 31.35 s, objective = 4049137
Solution 4, time = 31.35 s, objective = 4800804
Solution 5, time = 31.35 s, objective = 6050641
Solution 6, time = 31.36 s, objective = 9222169
Solution 7, time = 31.36 s, objective = 9910835
Solution 8, time = 31.40 s, objective = 10448269
Solution 9, time = 31.50 s, objective = 10714391
Solution 10, time = 31.50 s, objective = 10750830
Solution 11, time = 31.53 s, objective = 12395878
Solution 12, time = 31.73 s, objective = 12489207
Solution 13, time = 31.74 s, objective = 12623467
Solution 14, time = 31.76 s, objective = 12631263
Solution 15, time = 31.77 s, objective = 12680654
Solution 16, time = 31.80 s, objective = 12732409
Solution 17, time = 31.80 s, objective = 12765621
Solution 18, time = 32.07 s, objective = 13234486
Solution 19, time = 32.75 s, objective = 13324278
Solution 20, time = 32.97 s, objective = 13627950
Solution 21, time = 33.40 s, objective = 13784333
Solution 22, time = 36.21 s, objective = 13789848
Solution 23, time = 36.51 s, objective = 13966819
Solution 24, time = 37.03 s, objective = 14741563
Solution 25, time = 37.16 s, objective = 14766125
Solution 26, time = 37.30 s, objective = 14852005
Solution 27, time = 38.16 s, objective = 15021163
Solution 28, time = 41.28 s, objective = 15289356
Solution 29, time = 63.96 s, objective = 15503714
Solution 30, time = 77.31 s, objective = 15506100
Solution 31, time = 77.53 s, objective = 15544913
Solution 32, time = 78.07 s, objective = 15732544
Time used for solving: 156.2909529209137
current status: 4
current status: 4
no optimal or feasible solution found for assembling, use temporary solution for final results.
loading solved possible fragment combination finished
atomic_reassign_20_2_20 created
current interval: [18, 39]
path0_starting34_chain_I created
current interval: [5, 25]
path0_starting62_chain_F created
current interval: [17, 29]
path0_starting106_chain_G created
current interval: [32, 52]
path0_starting140_chain_J created
current interval: [11, 21]
path1_starting26_chain_G created
current interval: [19, 34]
path2_starting2_chain_J created
current interval: [42, 58]
path2_starting34_chain_G created
current interval: [0, 11]
path4_starting50_chain_I created
current interval: [25, 46]
path4_starting110_chain_F created
current interval: [42, 58]
path4_starting138_chain_J created
atomic_seq created
[[0, 8], [26, 34], [88, 106], [125, 140]]
reformed missing list length 4, previous 4
extend for 0-8
before info: {'match_seq': 'AA-A---A-A--C--AGCC-', 'score': 129.358927653976, 'interval': [4, 15], 'chain': 'J', 'direction': -1, 'chain_length': 61}
previous info: {'match_seq': 'AA-A---A', 'score': 129.358927653976, 'interval': [4, 9], 'chain': 'J', 'direction': -1, 'chain_length': 61}
extend for 26-34
before info: {'match_seq': 'A-G-C-CT-A-A-AA-A-AA', 'score': 736.53552117485, 'interval': [31, 46], 'chain': 'I', 'direction': 1, 'chain_length': 50}
previous info: {'match_seq': 'A-G-C-CT', 'score': 736.53552117485, 'interval': [31, 39], 'chain': 'I', 'direction': 1, 'chain_length': 50}
extend for 88-106
before info: {'match_seq': 'GT-G--A-T-GC-A--AA--', 'score': 162.5863030552864, 'interval': [24, 34], 'chain': 'J', 'direction': 1, 'chain_length': 61}
previous info: {'match_seq': 'GT-G--A-T-GC-A--AA', 'score': 162.5863030552864, 'interval': [24, 34], 'chain': 'J', 'direction': 1, 'chain_length': 61}
extend for 124-140
before info: {'match_seq': 'C-G-TC--C--GGCT--A-T', 'score': 498.0230396979322, 'interval': [44, 59], 'chain': 'J', 'direction': -1, 'chain_length': 61}
previous info: {'match_seq': 'C-G-TC--C--GGCT-', 'score': 498.0230396979322, 'interval': [44, 57], 'chain': 'J', 'direction': -1, 'chain_length': 61}
[[0, 19], [20, 26]]
reformed missing list length 2, previous 1
extend for 0-19
before info: {'match_seq': 'A-T-A-TTCGG-G-A---AT', 'score': 548.692974448204, 'interval': [25, 39], 'chain': 'F', 'direction': -1, 'chain_length': 50}
previous info: {'match_seq': 'A-T-A-TTCGG-G-A---A', 'score': 548.692974448204, 'interval': [25, 38], 'chain': 'F', 'direction': -1, 'chain_length': 50}
extend for 18-26
before info: {'match_seq': 'AA---GA-C-A-G-GCCA', 'score': 494.0748039471715, 'interval': [31, 42], 'chain': 'F', 'direction': 1, 'chain_length': 50}
previous info: {'match_seq': 'AA---GA-', 'score': 494.0748039471715, 'interval': [31, 35], 'chain': 'F', 'direction': 1, 'chain_length': 50}
[[23, 34]]
reformed missing list length 1, previous 1
extend for 22-34
before info: {'match_seq': '-G-A-A-GAA-A-A-A-A-A', 'score': -373.6548303729262, 'interval': [42, 57], 'chain': 'J', 'direction': 1, 'chain_length': 61}
previous info: {'match_seq': '-G-A-A-GAA-A', 'score': -373.6548303729262, 'interval': [42, 53], 'chain': 'J', 'direction': 1, 'chain_length': 61}
[]
reformed missing list length 0, previous 0
[[0, 19], [20, 39], [40, 50], [72, 91], [92, 110]]
reformed missing list length 5, previous 2
extend for 0-19
before info: {'match_seq': 'GG-ACC-TA-GACC--GGAC', 'score': 399.6707618236542, 'interval': [0, 15], 'chain': 'G', 'direction': -1, 'chain_length': 61}
previous info: {'match_seq': 'GG-ACC-TA-GACC--GGA', 'score': 399.6707618236542, 'interval': [0, 14], 'chain': 'G', 'direction': -1, 'chain_length': 61}
extend for 20-39
before info: {'match_seq': 'G-TT-AA---G--GGCG---', 'score': 343.814230710268, 'interval': [9, 20], 'chain': 'F', 'direction': 1, 'chain_length': 50}
previous info: {'match_seq': 'G-TT-AA---G--GGCG--', 'score': 343.814230710268, 'interval': [9, 20], 'chain': 'F', 'direction': 1, 'chain_length': 50}
extend for 40-50
before info: {'match_seq': 'G---G-T-GAAG-C-C--A-', 'score': 242.3618957400322, 'interval': [38, 49], 'chain': 'J', 'direction': 1, 'chain_length': 61}
previous info: {'match_seq': 'G---G-T-GA', 'score': 242.3618957400322, 'interval': [38, 44], 'chain': 'J', 'direction': 1, 'chain_length': 61}
extend for 72-91
before info: {'match_seq': 'AA-G-TG--G-A-A-CA-AA', 'score': 520.8458855748177, 'interval': [16, 30], 'chain': 'J', 'direction': -1, 'chain_length': 61}
previous info: {'match_seq': 'AA-G-TG--G-A-A-CA-A', 'score': 520.8458855748177, 'interval': [16, 29], 'chain': 'J', 'direction': -1, 'chain_length': 61}
extend for 92-110
before info: {'match_seq': 'A-T--G--T--C-GG-GAA-', 'score': 448.3457745969432, 'interval': [28, 38], 'chain': 'F', 'direction': -1, 'chain_length': 50}
previous info: {'match_seq': 'A-T--G--T--C-GG-GA', 'score': 448.3457745969432, 'interval': [28, 37], 'chain': 'F', 'direction': -1, 'chain_length': 50}
[]
reformed missing list length 0, previous 0
[[0, 12]]
reformed missing list length 1, previous 1
extend for 0-12
before info: {'match_seq': 'TGA---T-ACAG-CC--C', 'score': 425.0348571213468, 'interval': [25, 36], 'chain': 'I', 'direction': 1, 'chain_length': 50}
previous info: {'match_seq': 'TGA---T-ACAG', 'score': 425.0348571213468, 'interval': [25, 33], 'chain': 'I', 'direction': 1, 'chain_length': 50}
[[0, 5]]
reformed missing list length 1, previous 1
[]
reformed missing list length 0, previous 0
We added 5 assignment that have collision to fill those gaps
CP_SAT_frags created
we clustered 6 clusters out of 6 fragments
11 pho positions in atomic
11 pho positions in atomic
{7, 8, 9, 10, 13, 15, 16}
11 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 14 to 14 frag info
Reflection detected
Reflection detected
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
11 atomic build upon pho atoms
14 pho positions in atomic
14 pho positions in atomic
{20, 21, 27, 28, 29}
previous loc [177.69316302467925, 157.90474496772293, 124.84216887274613] updated loc: [176.41765360577503, 153.81703898558771, 120.72844350050156]
previous loc [159.75218332247462, 146.2903746448779, 141.48962765789156] updated loc: [159.75218332247462, 146.2903746448779, 141.48962765789156]
previous loc [159.75218332247462, 146.2903746448779, 141.48962765789156] updated loc: [165.2896219858795, 144.72396178542627, 142.53776268801585]
14 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 26 to 26 frag info
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 3
14 atomic build upon pho atoms
18 pho positions in atomic
18 pho positions in atomic
{32, 33, 34, 35, 36, 28, 29, 30}
previous loc [189.28026494302736, 128.96003114291088, 204.89289403506194] updated loc: [188.6385206672243, 130.98764628177827, 205.72815196821273]
previous loc [178.30439017025185, 131.97614531513162, 196.32314942768798] updated loc: [178.30439017025185, 131.97614531513162, 196.32314942768798]
previous loc [178.30439017025185, 131.97614531513162, 196.32314942768798] updated loc: [178.30439017025185, 131.97614531513162, 196.32314942768798]
18 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 31 to 30 frag info
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 3
Reflection detected
18 atomic build upon pho atoms
10 pho positions in atomic
10 pho positions in atomic
{32, 33, 34, 35, 38, 39, 31}
previous loc [176.83600353679768, 145.86207097244196, 175.38941901959987] updated loc: [178.18778614496475, 145.29008329636812, 173.645669136636]
previous loc [176.83600353679768, 145.86207097244196, 175.38941901959987] updated loc: [174.95585511129642, 146.26643314123228, 178.0511418214426]
previous loc [180.57408608088207, 121.9058554649924, 188.71017244097956] updated loc: [175.9708627734859, 123.00073742812968, 188.88713631122303]
10 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 16 to 16 frag info
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 9
Reflection detected
10 atomic build upon pho atoms
13 pho positions in atomic
13 pho positions in atomic
{38, 40, 41, 42, 43, 44}
previous loc [175.38117538872498, 168.07295881634647, 109.43817161028737] updated loc: [175.38117538872498, 168.07295881634647, 109.43817161028737]
previous loc [175.38117538872498, 168.07295881634647, 109.43817161028737] updated loc: [175.38117538872498, 168.07295881634647, 109.43817161028737]
13 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 22 to 21 frag info
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
use pho situation 6
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 4
13 atomic build upon pho atoms
4 pho positions in atomic
4 pho positions in atomic
{26, 28}
4 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 5 to 5 frag info
use pho situation 6
Reflection detected
use pho situation 2
use pho situation 9
Reflection detected
4 atomic build upon pho atoms
we clustered 1 clusters out of 1 fragments
7 pho positions in atomic
7 pho positions in atomic
{16, 17, 14, 15}
previous loc [139.23808128543251, 176.08060174823436, 202.05943023551808] updated loc: [139.23808128543251, 176.08060174823436, 202.05943023551808]
7 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 10 to 10 frag info
use pho situation 8
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 2
use pho situation 7
use pho situation 6
use pho situation 4
Reflection detected
7 atomic build upon pho atoms
we clustered 2 clusters out of 2 fragments
12 pho positions in atomic
12 pho positions in atomic
{27, 28, 29, 31}
previous loc [140.47581010174372, 145.71127945170892, 142.30599490024963] updated loc: [141.15503647148074, 139.67987099020874, 140.62293677128972]
previous loc [140.47581010174372, 145.71127945170892, 142.30599490024963] updated loc: [140.47581010174372, 145.71127945170892, 142.30599490024963]
previous loc [124.9977646132167, 153.0094854778046, 150.99493775336973] updated loc: [127.39634777871929, 153.8220413162863, 148.57128411337234]
12 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 23 to 23 frag info
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 3
Reflection detected
12 atomic build upon pho atoms
11 pho positions in atomic
11 pho positions in atomic
{44, 45, 46, 48, 49, 53}
previous loc [134.3445939897702, 174.4012021944047, 173.29869530885148] updated loc: [137.3198825695268, 172.95055397362867, 172.75920207230524]
11 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 16 to 16 frag info
use pho situation 8
use pho situation 2
use pho situation 7
use pho situation 6
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 9
11 atomic build upon pho atoms
we clustered 3 clusters out of 3 fragments
12 pho positions in atomic
12 pho positions in atomic
{39, 40, 41, 42, 43, 47, 48, 49}
previous loc [135.18094743965887, 190.29237575299837, 74.5868372520942] updated loc: [135.18094743965887, 190.29237575299837, 74.5868372520942]
previous loc [131.3246339353891, 185.7959951625052, 72.63270978973823] updated loc: [131.3246339353891, 185.7959951625052, 72.63270978973823]
12 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 18 to 18 frag info
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 2
use pho situation 5
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
Reflection detected
12 atomic build upon pho atoms
17 pho positions in atomic
17 pho positions in atomic
{10, 11, 12, 15, 16, 17, 18, 20}
previous loc [133.01564192079704, 128.0012229254586, 123.0006532105905] updated loc: [128.87020684771858, 123.21145669787133, 122.12049289009605]
previous loc [125.4763243291533, 150.31997853971967, 92.77249874604216] updated loc: [121.47877968301185, 147.17827529121269, 91.0056687587002]
17 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 28 to 28 frag info
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 5
use pho situation 4
Reflection detected
17 atomic build upon pho atoms
12 pho positions in atomic
12 pho positions in atomic
{16, 17, 12, 15}
previous loc [142.24411610277082, 154.6868107229214, 156.21274134854923] updated loc: [140.06735352830947, 157.37345626099042, 156.26376010096362]
previous loc [121.31076836587813, 140.73068699602808, 143.09608479842862] updated loc: [122.05955963418647, 139.1008352620374, 145.43362271968846]
12 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 22 to 22 frag info
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
use pho situation 4
12 atomic build upon pho atoms
we clustered 1 clusters out of 1 fragments
5 pho positions in atomic
5 pho positions in atomic
{8, 4, 5, 7}
previous loc [226.15007898294635, 130.46047457921316, 196.09959828743015] updated loc: [226.00777019467827, 130.85054467693354, 191.31641164973135]
5 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 8 to 7 frag info
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
5 atomic build upon pho atoms
we clustered 1 clusters out of 1 fragments
4 pho positions in atomic
4 pho positions in atomic
{57, 58, 59}
previous loc [114.67218002970642, 124.28762567008009, 113.1793802099788] updated loc: [116.07251645355846, 123.37561996985059, 116.49206633081616]
previous loc [114.67218002970642, 124.28762567008009, 113.1793802099788] updated loc: [114.67218002970642, 124.28762567008009, 113.1793802099788]
4 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 7 to 7 frag info
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 9
4 atomic build upon pho atoms
we clustered 1 clusters out of 1 fragments
4 pho positions in atomic
4 pho positions in atomic
{1, 2}
4 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 5 to 5 frag info
use pho situation 6
use pho situation 4
4 atomic build upon pho atoms
extra_support_frags created
we clustered 4 clusters out of 4 fragments
previous loc [182.95428942442797, 132.3129262267313, 81.68788326776927] updated loc: [185.01680999772802, 130.94445798318694, 84.0048995559787]
previous loc [183.36051263380796, 136.41882449547313, 79.1884279185485] updated loc: [184.7931179531584, 135.62643086900226, 79.57099256667746]
4 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 6 to 6 frag info
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 3
Reflection detected
4 atomic build upon pho atoms
5 pho positions in atomic
5 pho positions in atomic
{33, 34}
5 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 7 to 7 frag info
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 3
5 atomic build upon pho atoms
10 pho positions in atomic
10 pho positions in atomic
{32, 33, 34, 29, 30}
previous loc [176.98071428515664, 135.70302778614817, 210.02227742090417] updated loc: [178.38582510207905, 136.53031720042947, 208.38090388031065]
10 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 16 to 16 frag info
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
10 atomic build upon pho atoms
9 pho positions in atomic
9 pho positions in atomic
{5, 6, 7, 8, 9, 10}
previous loc [156.79372627978387, 151.9767977466484, 155.07043272806433] updated loc: [159.57940794472572, 158.19342077394958, 154.53752260110804]
previous loc [162.4873317862495, 139.48703309343364, 156.48828369459738] updated loc: [158.33695692346004, 147.9916309446927, 156.0207314798997]
9 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 14 to 14 frag info
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 3
Reflection detected
9 atomic build upon pho atoms
we clustered 2 clusters out of 2 fragments
11 pho positions in atomic
11 pho positions in atomic
{14, 15, 16, 17, 18, 19, 20, 21}
previous loc [130.87234335148062, 181.9052283866775, 218.35470959023317] updated loc: [130.87234335148062, 181.9052283866775, 218.35470959023317]
previous loc [130.87234335148062, 181.9052283866775, 218.35470959023317] updated loc: [130.87234335148062, 181.9052283866775, 218.35470959023317]
previous loc [126.71461850733316, 175.24873532587304, 209.1694725412494] updated loc: [126.71461850733316, 175.24873532587304, 209.1694725412494]
previous loc [123.08716629172902, 177.02193377072152, 203.95946158977281] updated loc: [123.08716629172902, 177.02193377072152, 203.95946158977281]
previous loc [123.08716629172902, 177.02193377072152, 203.95946158977281] updated loc: [122.46415134077897, 177.902691604207, 202.09389236995028]
11 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 18 to 17 frag info
use pho situation 8
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 4
Reflection detected
11 atomic build upon pho atoms
4 pho positions in atomic
4 pho positions in atomic
{33, 34, 35}
previous loc [135.52583146890564, 190.94711315671623, 214.05216253853237] updated loc: [135.52583146890564, 190.94711315671623, 214.05216253853237]
4 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 6 to 6 frag info
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 4
4 atomic build upon pho atoms
we clustered 1 clusters out of 1 fragments
7 pho positions in atomic
7 pho positions in atomic
{45}
7 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 13 to 13 frag info
use pho situation 1
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 3
7 atomic build upon pho atoms
we clustered 5 clusters out of 5 fragments
14 pho positions in atomic
14 pho positions in atomic
{48, 49, 50, 51, 52, 53, 55, 57, 58, 59, 60}
previous loc [132.4664928719946, 174.23815419847625, 89.27789794978275] updated loc: [132.4664928719946, 174.23815419847625, 89.27789794978275]
previous loc [132.4664928719946, 174.23815419847625, 89.27789794978275] updated loc: [129.03040597641575, 174.96066725285388, 86.96001484403911]
previous loc [125.54482075296669, 171.3890694543613, 81.37834633168153] updated loc: [125.54482075296669, 171.3890694543613, 81.37834633168153]
previous loc [125.54482075296669, 171.3890694543613, 81.37834633168153] updated loc: [125.54482075296669, 171.3890694543613, 81.37834633168153]
14 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 20 to 19 frag info
use pho situation 8
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
Reflection detected
14 atomic build upon pho atoms
10 pho positions in atomic
10 pho positions in atomic
{12, 14, 15, 18, 19}
previous loc [129.99026026001516, 163.00787720579692, 70.02124269860516] updated loc: [129.99026026001516, 163.00787720579692, 70.02124269860516]
previous loc [129.99026026001516, 163.00787720579692, 70.02124269860516] updated loc: [129.99026026001516, 163.00787720579692, 70.02124269860516]
10 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 16 to 15 frag info
use pho situation 8
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 4
Reflection detected
10 atomic build upon pho atoms
5 pho positions in atomic
5 pho positions in atomic
{40, 41, 42, 43}
previous loc [131.8331848140963, 157.98958613188572, 67.55668239709625] updated loc: [131.8331848140963, 157.98958613188572, 67.55668239709625]
previous loc [131.8331848140963, 157.98958613188572, 67.55668239709625] updated loc: [136.62979049493086, 154.35682495299815, 70.41517362064153]
5 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 7 to 7 frag info
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 9
5 atomic build upon pho atoms
11 pho positions in atomic
11 pho positions in atomic
{34, 35, 36, 37, 39, 40, 42}
previous loc [146.01327942899468, 185.97577823939267, 78.00249075232813] updated loc: [148.55357021332583, 185.17278443548182, 77.06243545697237]
previous loc [146.01327942899468, 185.97577823939267, 78.00249075232813] updated loc: [148.55357021332583, 185.17278443548182, 77.06243545697237]
previous loc [145.8545894537606, 188.49526579372872, 76.6557785589932] updated loc: [145.8545894537606, 188.49526579372872, 76.6557785589932]
previous loc [145.8545894537606, 188.49526579372872, 76.6557785589932] updated loc: [145.8545894537606, 188.49526579372872, 76.6557785589932]
11 pho positions in atomic
round 2 we still put 2 points into clear set
clearning changed 18 to 16 frag info
use pho situation 8
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 5
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 9
Reflection detected
11 atomic build upon pho atoms
9 pho positions in atomic
9 pho positions in atomic
{18, 19}
9 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 15 to 15 frag info
use pho situation 8
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 3
9 atomic build upon pho atoms
we clustered 1 clusters out of 1 fragments
8 pho positions in atomic
8 pho positions in atomic
{32, 33, 27, 29, 30, 31}
8 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 10 to 10 frag info
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
8 atomic build upon pho atoms
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
Output created
reassign 8 index of A-A-AAA-AA-GGG-GCC-CC-C-G--A-CA-C-G-A-A-A-G-AA-AA-G-G-C-G-A-A-T-T-G-A-CG--AACCAAGG---GGG--A--G---GG-GG-GA--A--A-T-G-C-CC-C-C-GG-G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA to A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-G-A-A-A-G-AA-AA-G-G-C-G-A-A-T-T-G-A-CG--AACCAAGG---GGG--A--G---GG-GG-GA--A--A-T-G-C-CC-C-C-GG-G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA
reassign 34 index of A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-G-A-A-A-G-AA-AA-G-G-C-G-A-A-T-T-G-A-CG--AACCAAGG---GGG--A--G---GG-GG-GA--A--A-T-G-C-CC-C-C-GG-G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA to A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-T-G-A-CG--AACCAAGG---GGG--A--G---GG-GG-GA--A--A-T-G-C-CC-C-C-GG-G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA
reassign 62 index of A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-T-G-A-CG--AACCAAGG---GGG--A--G---GG-GG-GA--A--A-T-G-C-CC-C-C-GG-G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA to A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-A-G-ACCG-G-ACAAAT--G--T-GTA--G---GG-GG-GA--A--A-T-G-C-CC-C-C-GG-G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA
reassign 106 index of A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-A-G-ACCG-G-ACAAAT--G--T-GTA--G---GG-GG-GA--A--A-T-G-C-CC-C-C-GG-G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA to A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-A-G-ACCG-G-ACAAAT--G--T-GTA--G---GG-GG-GA-A--A--T-G-T-GC-C-C-G--G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA
reassign 140 index of A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-A-G-ACCG-G-ACAAAT--G--T-GTA--G---GG-GG-GA-A--A--T-G-T-GC-C-C-G--G-AG-C-GGGG-A-A-T-C-A-A-AC-GGG-GGT-T-TT-AA to A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-A-G-ACCG-G-ACAAAT--G--T-GTA--G---GG-GG-GA-A--A--T-G-T-GC-C-C-G--G-AG-C-GGGG-A-A-T-CA-A--GTG-TGG-C----TT-AA
reassign 164 index of A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-A-G-ACCG-G-ACAAAT--G--T-GTA--G---GG-GG-GA-A--A--T-G-T-GC-C-C-G--G-AG-C-GGGG-A-A-T-CA-A--GTG-TGG-C----TT-AA to A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-A-G-ACCG-G-ACAAAT--G--T-GTA--G---GG-GG-GA-A--A--T-G-T-GC-C-C-G--G-AG-C-GGGG-A-A-T-CA-A--GTG-TGG-C---T-T-AG
final seq+geo sequence A-A-AAA-AT--C--TGG-C--C-GTA--CA-C-T-A-A-A-G-TG-AAA-G-C-C-C--A-T-A-G-ACCG-G-ACAAAT--G--T-GTA--G---GG-GG-GA-A--A--T-G-T-GC-C-C-G--G-AG-C-GGGG-A-A-T-CA-A--GTG-TGG-C---T-T-AG
reassign 26 index of A-T-A-TTAGG-G-A--A-A-A-GG-C-AG-G-TCA to A-T-A-TTAGG-G-A--A-A-A-GG-C-T-G-CTCA
final seq+geo sequence A-T-A-TTAGG-G-A--A-A-A-GG-C-T-G-CTCA
reassign 2 index of AG-A-A-GTG-G-G-G-G-G-A-A-AA-G-AA-A-C-A-A-A-CGG-GG-CC-A- to AGA-A-AGT-G-A-T-G-C-A--A-AA-G-AA-A-C-A-A-A-CGG-GG-CC-A-
reassign 34 index of AGA-A-AGT-G-A-T-G-C-A--A-AA-G-AA-A-C-A-A-A-CGG-GG-CC-A- to AGA-A-AGT-G-A-T-G-C-A--A-AA-G-AA-AA--A-G-A-CA--GG-CC-A-
final seq+geo sequence AGA-A-AGT-G-A-T-G-C-A--A-AA-G-AA-AA--A-G-A-CA--GG-CC-A-
final seq+geo sequence A-T
reassign 50 index of GG-AA-AAA-GAC-G-GGA-G-A-AA---GG--GG--G-G--G--G-AGAA-A-C-A-A--AAA-A-AA-A-AA-G-G--G-G-GA-CA-AA-A--G-GGG--G-GG-GGA-A-A-GG-T-G-GG-GA-A-CTTA-AT-T-T--TG-G-C-C-C-C-GG-TT to GG-AA-AAA-GAC-G-GGA-G-A-AA---GG--GG--G-G--G--G-AGAGC-C-C--A-A-AA-A---C--AA-G-G--G-G-GA-CA-AA-A--G-GGG--G-GG-GGA-A-A-GG-T-G-GG-GA-A-CTTA-AT-T-T--TG-G-C-C-C-C-GG-TT
reassign 110 index of GG-AA-AAA-GAC-G-GGA-G-A-AA---GG--GG--G-G--G--G-AGAGC-C-C--A-A-AA-A---C--AA-G-G--G-G-GA-CA-AA-A--G-GGG--G-GG-GGA-A-A-GG-T-G-GG-GA-A-CTTA-AT-T-T--TG-G-C-C-C-C-GG-TT to GG-AA-AAA-GAC-G-GGA-G-A-AA---GG--GG--G-G--G--G-AGAGC-C-C--A-A-AA-A---C--AA-G-G--G-G-GA-CA-AA-A--G-GGG--G-GG-GGA-TA-G--T-C--GG-GA-AT-TTT-TT-T-T--TG-G-C-C-C-C-GG-TT
reassign 138 index of GG-AA-AAA-GAC-G-GGA-G-A-AA---GG--GG--G-G--G--G-AGAGC-C-C--A-A-AA-A---C--AA-G-G--G-G-GA-CA-AA-A--G-GGG--G-GG-GGA-TA-G--T-C--GG-GA-AT-TTT-TT-T-T--TG-G-C-C-C-C-GG-TT to GG-AA-AAA-GAC-G-GGA-G-A-AA---GG--GG--G-G--G--G-AGAGC-C-C--A-A-AA-A---C--AA-G-G--G-G-GA-CA-AA-A--G-GGG--G-GG-GGA-TA-G--T-C--GG-GA-AT-TTT-TTT-T--C-T-G-T---C-C-GG-TT
final seq+geo sequence GG-AA-AAA-GAC-G-GGA-G-A-AA---GG--GG--G-G--G--G-AGAGC-C-C--A-A-AA-A---C--AA-G-G--G-G-GA-CA-AA-A--G-GGG--G-GG-GGA-TA-G--T-C--GG-GA-AT-TTT-TTT-T--C-T-G-T---C-C-GG-TT
reassign 0 index of TA-TTT to TTT-TT
final seq+geo sequence TTT-TT
reassign 12 index of TT-T-AA-AGT-GC-G-C to TT-T-AA-AGT-GCC--C
final seq+geo sequence TT-T-AA-AGT-GCC--C
final seq+geo sequence GGGTG
reassign 0 index of GGG-AA to GGG-C-
final seq+geo sequence GGG-C-
atomic_all created
Path_Atomic_Frags created
95 pho positions in atomic
95 pho positions in atomic
{3, 4, 5, 6, 7, 8, 9, 10, 11, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96}
previous loc [184.09101404679177, 147.6414918964568, 93.43364361982016] updated loc: [184.64480001556726, 141.84472946945925, 95.84061814346215]
previous loc [172.45563461989394, 158.4734190997962, 92.9663174483972] updated loc: [176.95905139074935, 157.44359756923433, 91.6108027492559]
previous loc [168.10224859085235, 159.76711628280518, 99.12460697037515] updated loc: [169.92595277563393, 158.66524289098092, 96.50669882270869]
previous loc [169.47842206282147, 151.0619854626604, 109.42087497376387] updated loc: [166.6546724484967, 154.531426562029, 104.46079011605944]
previous loc [170.72474671883663, 150.3630047004667, 111.9274199712669] updated loc: [169.47842206282147, 151.0619854626604, 109.42087497376387]
previous loc [176.41765360577503, 153.81703898558771, 120.72844350050156] updated loc: [172.98087586140917, 150.63511694422786, 115.08817638518133]
previous loc [169.9869663961493, 166.58552896934006, 130.60549180497344] updated loc: [174.11018167250458, 163.5977575002837, 126.39403429746513]
previous loc [161.49632630534347, 167.02833500571438, 132.2881477847565] updated loc: [169.9869663961493, 166.58552896934006, 130.60549180497344]
previous loc [156.1204395172899, 162.81400041811617, 134.1903103930507] updated loc: [161.49632630534347, 167.02833500571438, 132.2881477847565]
previous loc [154.67657976362926, 157.03096277792312, 137.3560254208185] updated loc: [156.1204395172899, 162.81400041811617, 134.1903103930507]
previous loc [156.43831610538325, 151.48698551680857, 139.71908213378114] updated loc: [154.67657976362926, 157.03096277792312, 137.3560254208185]
previous loc [159.75218332247462, 146.2903746448779, 141.48962765789156] updated loc: [156.43831610538325, 151.48698551680857, 139.71908213378114]
previous loc [165.2896219858795, 144.72396178542627, 142.53776268801585] updated loc: [159.75218332247462, 146.2903746448779, 141.48962765789156]
previous loc [165.2896219858795, 144.72396178542627, 142.53776268801585] updated loc: [165.2896219858795, 144.72396178542627, 142.53776268801585]
previous loc [175.71170593291018, 151.34434819275884, 157.03476954780467] updated loc: [175.40787733747905, 148.33413824278114, 151.51885249589384]
previous loc [174.35400031218063, 152.28142506051174, 158.88441397335038] updated loc: [175.71170593291018, 151.34434819275884, 157.03476954780467]
previous loc [168.34506721796657, 152.1381805136429, 166.95879619400554] updated loc: [172.6312918786411, 153.28284089103252, 161.90962966859544]
previous loc [161.57143007429528, 136.27323168307103, 172.43539396909415] updated loc: [160.9642199194779, 143.06078606426118, 172.33197017760537]
previous loc [166.03291621735625, 131.04608136197336, 172.48916752949427] updated loc: [161.06045857133643, 138.41296675492418, 172.87408476436184]
previous loc [176.78691261292906, 127.6131761731799, 174.9804950983228] updated loc: [170.27978155659582, 127.82266288921942, 173.7021359572375]
previous loc [182.20868987068863, 129.09648411113488, 177.5808046028553] updated loc: [176.78691261292906, 127.6131761731799, 174.9804950983228]
previous loc [184.43476293539462, 133.70672918096366, 182.42962510459574] updated loc: [182.20868987068863, 129.09648411113488, 177.5808046028553]
previous loc [184.70018626964642, 136.8394540951774, 187.85157412580597] updated loc: [184.43476293539462, 133.70672918096366, 182.42962510459574]
previous loc [178.30439017025185, 131.97614531513162, 196.32314942768798] updated loc: [178.30439017025185, 131.97614531513162, 196.32314942768798]
previous loc [185.15773720829057, 131.71399835907377, 200.97004451464625] updated loc: [180.96985227378295, 131.99213267212969, 194.00131275424482]
previous loc [189.28026494302736, 128.96003114291088, 204.89289403506194] updated loc: [185.15773720829057, 131.71399835907377, 200.97004451464625]
previous loc [181.75424465926895, 133.84807261853481, 211.18035956283788] updated loc: [188.6385206672243, 130.98764628177827, 205.72815196821273]
previous loc [181.67071398114211, 132.48601595605777, 214.5502767759724] updated loc: [186.6579109035872, 130.6101883531865, 213.0921493242232]
previous loc [181.67071398114211, 132.48601595605777, 214.5502767759724] updated loc: [181.67071398114211, 132.48601595605777, 214.5502767759724]
previous loc [169.98793941099197, 125.60404576080985, 187.18341639024203] updated loc: [175.9708627734859, 123.00073742812968, 188.88713631122303]
previous loc [176.83600353679768, 145.86207097244196, 175.38941901959987] updated loc: [174.95585511129642, 146.26643314123228, 178.0511418214426]
previous loc [178.55495363708067, 138.92353373499796, 164.43427361796742] updated loc: [179.42322813230115, 141.1034714325944, 167.24921398952586]
previous loc [162.4873317862495, 139.48703309343364, 156.48828369459738] updated loc: [168.40174347689984, 136.2856622171825, 155.22472706721524]
previous loc [158.33695692346004, 147.9916309446927, 156.0207314798997] updated loc: [162.4873317862495, 139.48703309343364, 156.48828369459738]
previous loc [159.57940794472572, 158.19342077394958, 154.53752260110804] updated loc: [157.8318850676336, 150.26987412232546, 155.57910949594532]
previous loc [157.8318850676336, 150.26987412232546, 155.57910949594532] updated loc: [159.57940794472572, 158.19342077394958, 154.53752260110804]
previous loc [171.8285731036161, 162.37677553800253, 141.69647768500812] updated loc: [168.21256548002629, 164.96767521138932, 146.325653439375]
previous loc [174.24746609709962, 157.3334743863232, 137.8866972501242] updated loc: [171.8285731036161, 162.37677553800253, 141.69647768500812]
previous loc [173.31303380623152, 151.84950904146064, 133.64262666347966] updated loc: [174.24746609709962, 157.3334743863232, 137.8866972501242]
previous loc [169.00090452645202, 147.98722369221062, 130.001960986719] updated loc: [173.31303380623152, 151.84950904146064, 133.64262666347966]
previous loc [163.1852106449676, 147.61385829343632, 124.86560830099923] updated loc: [169.00090452645202, 147.98722369221062, 130.001960986719]
previous loc [156.2565636254801, 160.6705696277894, 106.07834797602003] updated loc: [158.54434722579558, 156.79592090322717, 117.96408951548985]
previous loc [175.38117538872498, 168.07295881634647, 109.43817161028737] updated loc: [166.47047686667753, 167.74461997845248, 113.7532802412557]
previous loc [181.22439124474656, 162.90658842250346, 109.27460823742209] updated loc: [175.38117538872498, 168.07295881634647, 109.43817161028737]
previous loc [182.69510929599096, 156.78569857025454, 108.04732943993318] updated loc: [181.22439124474656, 162.90658842250346, 109.27460823742209]
95 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 143 to 143 frag info
Reflection detected
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 1
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 1
use pho situation 2
use pho situation 5
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
95 atomic build upon pho atoms
22 pho positions in atomic
22 pho positions in atomic
{4, 5, 6, 7, 8, 9, 10, 11, 13, 14, 15, 16, 17, 19, 20, 21, 22}
previous loc [123.08716629172902, 177.02193377072152, 203.95946158977281] updated loc: [122.46415134077897, 177.902691604207, 202.09389236995028]
previous loc [123.08716629172902, 177.02193377072152, 203.95946158977281] updated loc: [123.08716629172902, 177.02193377072152, 203.95946158977281]
previous loc [126.71461850733316, 175.24873532587304, 209.1694725412494] updated loc: [126.71461850733316, 175.24873532587304, 209.1694725412494]
previous loc [130.87234335148062, 181.9052283866775, 218.35470959023317] updated loc: [130.87234335148062, 181.9052283866775, 218.35470959023317]
previous loc [130.87234335148062, 181.9052283866775, 218.35470959023317] updated loc: [130.87234335148062, 181.9052283866775, 218.35470959023317]
previous loc [135.52583146890564, 190.94711315671623, 214.05216253853237] updated loc: [135.52583146890564, 190.94711315671623, 214.05216253853237]
previous loc [139.23808128543251, 176.08060174823436, 202.05943023551808] updated loc: [139.23808128543251, 176.08060174823436, 202.05943023551808]
22 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 34 to 33 frag info
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 4
Reflection detected
22 atomic build upon pho atoms
31 pho positions in atomic
31 pho positions in atomic
{32, 11, 12, 13, 15, 17, 19, 22, 23, 24, 25, 27, 28}
previous loc [140.47581010174372, 145.71127945170892, 142.30599490024963] updated loc: [141.15503647148074, 139.67987099020874, 140.62293677128972]
previous loc Starting phenix.real_space_refine
on Mon Jun 1 04:43:44 2026 by webdklab
===============================================================================

Processing files:
-------------------------------------------------------------------------------

Final_Assemble_seq_formated.pdb
mask_map.mrc

Processing PHIL parameters:
-------------------------------------------------------------------------------

Adding command-line PHIL:
-------------------------
resolution=4.3000
output.suffix=_phenix_refine
skip_map_model_overlap_check=True

Final processed PHIL parameters:
-------------------------------------------------------------------------------
data_manager {
mask_map.mrc"
mask_map.mrc"
model {
Final_Assemble_seq_formated.pdb"
}
Final_Assemble_seq_formated.pdb"
}
resolution = 4.3000
skip_map_model_overlap_check = True
output {
suffix = _phenix_refine
}


Starting job
===============================================================================
-------------------------------------------------------------------------------
Citation:
*********
Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams
PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography.
Acta Cryst. D74:531-544.

Validating inputs
Origin is already at (0, 0, 0), no shifts will be applied
-------------------------------------------------------------------------------
Processing inputs
*****************
Set random seed
Set to: 0
Set model cs if undefined
Decide on map wrapping
Map wrapping is set to: False
Normalize map: mean=0, sd=1
Input map: mean= 0.000 sd= 0.002
Set stop_for_unknowns flag
Set to: True
Assert model is a single copy model
Assert all atoms have isotropic ADPs
Construct map_model_manager
Extract box with map and model
Check model and map are aligned
Set scattering table
Set to: electron
Number of scattering types: 4
Type Number sf(0) Gaussians
P 263 5.49 5
C 2546 2.51 5
N 1100 2.21 5
O 2064 1.98 5
sf(0) = scattering factor at diffraction angle 0.
Process input model
Monomer Library directory:
mon_lib"
Total number of atoms: 5973
Number of models: 1
Model: ""
Number of chains: 8
Chain: "A"
Number of atoms: 2150
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 95, 2150
Inner-chain residues flagged as termini: ['pdbres=" A A 2 "', 'pdbres=" A A 3 "', 'pdbres=" A A 4 "', 'pdbres=" A A 5 "', 'pdbres=" A A 6 "', 'pdbres=" U A 7 "', 'pdbres=" C A 8 "', 'pdbres=" U A 9 "', 'pdbres=" G A 10 "', 'pdbres=" G A 11 "', 'pdbres=" C A 12 "', 'pdbres=" C A 13 "', 'pdbres=" G A 14 "', 'pdbres=" U A 15 "', 'pdbres=" A A 16 "', 'pdbres=" C A 17 "', 'pdbres=" A A 18 "', 'pdbres=" C A 19 "', 'pdbres=" U A 20 "', 'pdbres=" A A 21 "', 'pdbres=" A A 22 "', 'pdbres=" A A 23 "', 'pdbres=" G A 24 "', 'pdbres=" U A 25 "', 'pdbres=" G A 26 "', 'pdbres=" A A 27 "', 'pdbres=" A A 28 "', 'pdbres=" A A 29 "', 'pdbres=" G A 30 "', 'pdbres=" C A 31 "', 'pdbres=" C A 32 "', 'pdbres=" C A 33 "', 'pdbres=" A A 34 "', 'pdbres=" U A 35 "', 'pdbres=" A A 36 "', 'pdbres=" G A 37 "', 'pdbres=" A A 38 "', 'pdbres=" C A 39 "', 'pdbres=" C A 40 "', 'pdbres=" G A 41 "', 'pdbres=" G A 42 "', 'pdbres=" A A 43 "', 'pdbres=" C A 44 "', 'pdbres=" A A 45 "', 'pdbres=" A A 46 "', 'pdbres=" A A 47 "', 'pdbres=" U A 48 "', 'pdbres=" G A 49 "', 'pdbres=" U A 50 "', 'pdbres=" G A 51 "', 'pdbres=" U A 52 "', 'pdbres=" A A 53 "', 'pdbres=" G A 54 "', 'pdbres=" G A 55 "', 'pdbres=" G A 56 "', 'pdbres=" G A 57 "', 'pdbres=" G A 58 "', 'pdbres=" G A 59 "', 'pdbres=" A A 60 "', 'pdbres=" A A 61 "', 'pdbres=" A A 62 "', 'pdbres=" U A 63 "', 'pdbres=" G A 64 "', 'pdbres=" U A 65 "', 'pdbres=" G A 66 "', 'pdbres=" C A 67 "', 'pdbres=" C A 68 "', 'pdbres=" C A 69 "', 'pdbres=" G A 70 "', 'pdbres=" G A 71 "', 'pdbres=" A A 72 "', 'pdbres=" G A 73 "', 'pdbres=" C A 74 "', 'pdbres=" G A 75 "', 'pdbres=" G A 76 "', 'pdbres=" G A 77 "', 'pdbres=" G A 78 "', 'pdbres=" A A 79 "', 'pdbres=" A A 80 "', 'pdbres=" U A 81 "', 'pdbres=" C A 82 "', 'pdbres=" A A 83 "', 'pdbres=" A A 84 "', 'pdbres=" G A 85 "', 'pdbres=" U A 86 "', 'pdbres=" G A 87 "', 'pdbres=" U A 88 "', 'pdbres=" G A 89 "', 'pdbres=" G A 90 "', 'pdbres=" C A 91 "', 'pdbres=" U A 92 "', 'pdbres=" U A 93 "', 'pdbres=" A A 94 "']
Classifications: {'RNA': 95}
Modifications used: {'p5*END': 95, 'rna2p_pur': 62, 'rna2p_pyr': 33}
Link IDs: {'rna2p': 94}
Chain breaks: 39
Chain: "B"
Number of atoms: 496
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 22, 496
Inner-chain residues flagged as termini: ['pdbres=" U B 97 "', 'pdbres=" A B 98 "', 'pdbres=" U B 99 "', 'pdbres=" U B 100 "', 'pdbres=" A B 101 "', 'pdbres=" G B 102 "', 'pdbres=" G B 103 "', 'pdbres=" G B 104 "', 'pdbres=" A B 105 "', 'pdbres=" A B 106 "', 'pdbres=" A B 107 "', 'pdbres=" A B 108 "', 'pdbres=" G B 109 "', 'pdbres=" G B 110 "', 'pdbres=" C B 111 "', 'pdbres=" U B 112 "', 'pdbres=" G B 113 "', 'pdbres=" C B 114 "', 'pdbres=" U B 115 "', 'pdbres=" C B 116 "']
Classifications: {'RNA': 22}
Modifications used: {'p5*END': 22, 'rna2p_pur': 14, 'rna2p_pyr': 8}
Link IDs: {'rna2p': 21}
Chain breaks: 10
Chain: "C"
Number of atoms: 709
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 31, 709
Inner-chain residues flagged as termini: ['pdbres=" G C 119 "', 'pdbres=" A C 120 "', 'pdbres=" A C 121 "', 'pdbres=" A C 122 "', 'pdbres=" G C 123 "', 'pdbres=" U C 124 "', 'pdbres=" G C 125 "', 'pdbres=" A C 126 "', 'pdbres=" U C 127 "', 'pdbres=" G C 128 "', 'pdbres=" C C 129 "', 'pdbres=" A C 130 "', 'pdbres=" A C 131 "', 'pdbres=" A C 132 "', 'pdbres=" A C 133 "', 'pdbres=" G C 134 "', 'pdbres=" A C 135 "', 'pdbres=" A C 136 "', 'pdbres=" A C 137 "', 'pdbres=" A C 138 "', 'pdbres=" A C 139 "', 'pdbres=" G C 140 "', 'pdbres=" A C 141 "', 'pdbres=" C C 142 "', 'pdbres=" A C 143 "', 'pdbres=" G C 144 "', 'pdbres=" G C 145 "', 'pdbres=" C C 146 "', 'pdbres=" C C 147 "']
Classifications: {'RNA': 31}
Modifications used: {'p5*END': 31, 'rna2p_pur': 25, 'rna2p_pyr': 6}
Link IDs: {'rna2p': 30}
Chain breaks: 5
Chain: "E"
Number of atoms: 2060
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 90, 2060
Inner-chain residues flagged as termini: ['pdbres=" G E 150 "', 'pdbres=" A E 151 "', 'pdbres=" A E 152 "', 'pdbres=" A E 153 "', 'pdbres=" A E 154 "', 'pdbres=" A E 155 "', 'pdbres=" G E 156 "', 'pdbres=" A E 157 "', 'pdbres=" C E 158 "', 'pdbres=" G E 159 "', 'pdbres=" G E 160 "', 'pdbres=" G E 161 "', 'pdbres=" A E 162 "', 'pdbres=" G E 163 "', 'pdbres=" A E 164 "', 'pdbres=" A E 165 "', 'pdbres=" A E 166 "', 'pdbres=" G E 167 "', 'pdbres=" G E 168 "', 'pdbres=" G E 169 "', 'pdbres=" G E 170 "', 'pdbres=" G E 171 "', 'pdbres=" G E 172 "', 'pdbres=" G E 173 "', 'pdbres=" G E 174 "', 'pdbres=" A E 175 "', 'pdbres=" G E 176 "', 'pdbres=" A E 177 "', 'pdbres=" G E 178 "', 'pdbres=" C E 179 "', 'pdbres=" C E 180 "', 'pdbres=" C E 181 "', 'pdbres=" A E 182 "', 'pdbres=" A E 183 "', 'pdbres=" A E 184 "', 'pdbres=" A E 185 "', 'pdbres=" A E 186 "', 'pdbres=" C E 187 "', 'pdbres=" A E 188 "', 'pdbres=" A E 189 "', 'pdbres=" G E 190 "', 'pdbres=" G E 191 "', 'pdbres=" G E 192 "', 'pdbres=" G E 193 "', 'pdbres=" G E 194 "', 'pdbres=" A E 195 "', 'pdbres=" C E 196 "', 'pdbres=" A E 197 "', 'pdbres=" A E 198 "', 'pdbres=" A E 199 "', 'pdbres=" A E 200 "', 'pdbres=" G E 201 "', 'pdbres=" G E 202 "', 'pdbres=" G E 203 "', 'pdbres=" G E 204 "', 'pdbres=" G E 205 "', 'pdbres=" G E 206 "', 'pdbres=" G E 207 "', 'pdbres=" G E 208 "', 'pdbres=" G E 209 "', 'pdbres=" A E 210 "', 'pdbres=" U E 211 "', 'pdbres=" A E 212 "', 'pdbres=" G E 213 "', 'pdbres=" U E 214 "', 'pdbres=" C E 215 "', 'pdbres=" G E 216 "', 'pdbres=" G E 217 "', 'pdbres=" G E 218 "', 'pdbres=" A E 219 "', 'pdbres=" A E 220 "', 'pdbres=" U E 221 "', 'pdbres=" U E 222 "', 'pdbres=" U E 223 "', 'pdbres=" U E 224 "', 'pdbres=" U E 225 "', 'pdbres=" U E 226 "', 'pdbres=" U E 227 "', 'pdbres=" U E 228 "', 'pdbres=" C E 229 "', 'pdbres=" U E 230 "', 'pdbres=" G E 231 "', 'pdbres=" U E 232 "', 'pdbres=" C E 233 "', 'pdbres=" C E 234 "', 'pdbres=" G E 235 "', 'pdbres=" G E 236 "', 'pdbres=" U E 237 "']
Classifications: {'RNA': 90}
Modifications used: {'p5*END': 90, 'rna2p_pur': 66, 'rna2p_pyr': 24}
Link IDs: {'rna2p': 89}
Chain breaks: 32
Chain: "F"
Number of atoms: 105
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 5, 105
Inner-chain residues flagged as termini: ['pdbres=" U F 240 "', 'pdbres=" U F 241 "', 'pdbres=" U F 242 "']
Classifications: {'RNA': 5}
Modifications used: {'p5*END': 5, 'rna2p_pyr': 5}
Link IDs: {'rna2p': 4}
Chain breaks: 1
Chain: "G"
Number of atoms: 264
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 12, 264
Inner-chain residues flagged as termini: ['pdbres=" U G 245 "', 'pdbres=" U G 246 "', 'pdbres=" A G 247 "', 'pdbres=" A G 248 "', 'pdbres=" A G 249 "', 'pdbres=" G G 250 "', 'pdbres=" U G 251 "', 'pdbres=" G G 252 "', 'pdbres=" C G 253 "', 'pdbres=" C G 254 "']
Classifications: {'RNA': 12}
Modifications used: {'p5*END': 12, 'rna2p_pur': 5, 'rna2p_pyr': 7}
Link IDs: {'rna2p': 11}
Chain breaks: 7
Chain: "H"
Number of atoms: 117
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 5, 117
Inner-chain residues flagged as termini: ['pdbres=" G H 257 "', 'pdbres=" G H 258 "', 'pdbres=" U H 259 "']
Classifications: {'RNA': 5}
Modifications used: {'p5*END': 5, 'rna2p_pur': 4, 'rna2p_pyr': 1}
Link IDs: {'rna2p': 4}
Chain breaks: 1
Chain: "I"
Number of atoms: 72
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 3, 72
Inner-chain residues flagged as termini: ['pdbres=" G I 262 "']
Classifications: {'RNA': 3}
Modifications used: {'p5*END': 3, 'rna2p_pur': 3}
Link IDs: {'rna2p': 2}
Chain breaks: 1
Time building chain proxies: 1.35, per 1000 atoms: 0.23
Number of scatterers: 5973
At special positions: 0
Unit cell: (145, 95, 188, 90, 90, 90)
Space group: P 1 (No. 1)
Number of sites at special positions: 0
Number of scattering types: 4
Type Number sf(0)
P 263 15.00
O 2064 8.00
N 1100 7.00
C 2546 6.00
sf(0) = scattering factor at diffraction angle 0.

Number of disulfides: simple=0, symmetry=0

Automatic linking
Parameters for automatic linking
Linking & cutoffs
Metal : Auto - 3.00
Amino acid : True - 1.90
Carbohydrate : True - 1.99
Ligands : True - 1.99
Small molecules : False - 1.98
DNA : False

Number of custom bonds: simple=0, symmetry=0
Time building additional restraints: 0.88
Conformation dependent library (CDL) restraints added in 11.1 milliseconds


0 Ramachandran restraints generated.
2.
Adding C-beta torsion restraints...
Number of C-beta restraints generated: 0

Finding SS restraints...
Secondary structure from input PDB file:
0 helices and 0 sheets defined
0.0% alpha, 0.0% beta
23 base pairs and 0 stacking pairs defined.
Time for finding SS restraints: 0.68
Creating SS restraints...

No hydrogen bonds defined for protein.
Restraints generated for nucleic acids:
46 hydrogen bonds
0 hydrogen bond angles
0 basepair planarities
0 basepair parallelities
0 stacking parallelities
Total time for adding SS restraints: 0.50

Time building geometry restraints manager: 0.89 seconds

NOTE: a complete listing of the restraints can be obtained by requesting
output of .geo file.

Histogram of bond lengths:
0.00 - 0.56: 31
0.56 - 1.11: 37
1.11 - 1.67: 6459
1.67 - 2.22: 29
2.22 - 2.77: 18
Warning: very small bond lengths.
Bond restraints: 6574
Sorted by residual:
bond pdb="O3' A E 175 "
pdb="P G E 176 "
ideal model delta sigma weight residual
1.607 0.002 1.605 1.50e-02 4.44e+03 1.14e+04
bond pdb="O3' A E 152 "
pdb="P A E 153 "
ideal model delta sigma weight residual
1.607 0.120 1.487 1.50e-02 4.44e+03 9.83e+03
bond pdb="O3' A A 2 "
pdb="P A A 3 "
ideal model delta sigma weight residual
1.607 0.120 1.487 1.50e-02 4.44e+03 9.83e+03
bond pdb="O3' A A 94 "
pdb="P G A 95 "
ideal model delta sigma weight residual
1.607 0.146 1.461 1.50e-02 4.44e+03 9.48e+03
bond pdb="O3' A E 210 "
pdb="P U E 211 "
ideal model delta sigma weight residual
1.607 0.181 1.426 1.50e-02 4.44e+03 9.04e+03
... (remaining 6569 not shown)

Histogram of bond angle deviations from ideal:
0.00 - 23.27: 9985
23.27 - 46.54: 198
46.54 - 69.81: 150
69.81 - 93.09: 51
93.09 - 116.36: 10
Bond angle restraints: 10394
Sorted by residual:
angle pdb="C3' A E 157 "
pdb="O3' A E 157 "
pdb="P C E 158 "
ideal model delta sigma weight residual
120.20 3.84 116.36 1.50e+00 4.44e-01 6.02e+03
angle pdb="C3' C E 158 "
pdb="O3' C E 158 "
pdb="P G E 159 "
ideal model delta sigma weight residual
120.20 15.21 104.99 1.50e+00 4.44e-01 4.90e+03
angle pdb="C3' U A 52 "
pdb="O3' U A 52 "
pdb="P A A 53 "
ideal model delta sigma weight residual
120.20 16.32 103.88 1.50e+00 4.44e-01 4.80e+03
angle pdb="C3' C C 142 "
pdb="O3' C C 142 "
pdb="P A C 143 "
ideal model delta sigma weight residual
120.20 20.68 99.52 1.50e+00 4.44e-01 4.40e+03
angle pdb="C3' A C 118 "
pdb="O3' A C 118 "
pdb="P G C 119 "
ideal model delta sigma weight residual
120.20 21.65 98.55 1.50e+00 4.44e-01 4.32e+03
... (remaining 10389 not shown)

Histogram of dihedral angle deviations from ideal:
0.00 - 33.11: 1409
33.11 - 66.22: 1703
66.22 - 99.34: 304
99.34 - 132.45: 268
132.45 - 165.56: 48
Dihedral angle restraints: 3732
sinusoidal: 3732
harmonic: 0
Sorted by residual:
dihedral pdb="C5' G H 256 "
pdb="C4' G H 256 "
pdb="C3' G H 256 "
pdb="O3' G H 256 "
ideal model delta sinusoidal sigma weight residual
147.00 -98.20 -114.80 1 8.00e+00 1.56e-02 2.13e+02
dihedral pdb="C5' G E 191 "
pdb="C4' G E 191 "
pdb="C3' G E 191 "
pdb="O3' G E 191 "
ideal model delta sinusoidal sigma weight residual
147.00 -98.21 -114.79 1 8.00e+00 1.56e-02 2.13e+02
dihedral pdb="C5' G E 194 "
pdb="C4' G E 194 "
pdb="C3' G E 194 "
pdb="O3' G E 194 "
ideal model delta sinusoidal sigma weight residual
147.00 -98.21 -114.79 1 8.00e+00 1.56e-02 2.13e+02
... (remaining 3729 not shown)

Histogram of chiral volume deviations from ideal:
0.534 - 1.520: 263
1.520 - 2.507: 0
2.507 - 3.493: 0
3.493 - 4.479: 0
4.479 - 5.466: 1052
Chirality restraints: 1315
Sorted by residual:
chirality pdb="C3' G A 70 "
pdb="C4' G A 70 "
pdb="O3' G A 70 "
pdb="C2' G A 70 "
both_signs ideal model delta sigma weight residual
False -2.74 2.72 -5.47 2.00e-01 2.50e+01 7.47e+02
chirality pdb="C3' G A 14 "
pdb="C4' G A 14 "
pdb="O3' G A 14 "
pdb="C2' G A 14 "
both_signs ideal model delta sigma weight residual
False -2.74 2.72 -5.47 2.00e-01 2.50e+01 7.47e+02
chirality pdb="C3' C A 74 "
pdb="C4' C A 74 "
pdb="O3' C A 74 "
pdb="C2' C A 74 "
both_signs ideal model delta sigma weight residual
False -2.74 2.72 -5.47 2.00e-01 2.50e+01 7.47e+02
... (remaining 1312 not shown)

Planarity restraints: 263
Sorted by residual:
delta sigma weight rms_deltas residual
plane pdb="C1' G E 193 " -0.000 2.00e-02 2.50e+03 2.10e-03 1.32e-01
pdb="N9 G E 193 " 0.000 2.00e-02 2.50e+03
pdb="C8 G E 193 " -0.000 2.00e-02 2.50e+03
pdb="N7 G E 193 " -0.000 2.00e-02 2.50e+03
pdb="C5 G E 193 " 0.000 2.00e-02 2.50e+03
pdb="C6 G E 193 " 0.001 2.00e-02 2.50e+03
pdb="O6 G E 193 " 0.002 2.00e-02 2.50e+03
pdb="N1 G E 193 " -0.006 2.00e-02 2.50e+03
pdb="C2 G E 193 " 0.001 2.00e-02 2.50e+03
pdb="N2 G E 193 " 0.002 2.00e-02 2.50e+03
pdb="N3 G E 193 " -0.001 2.00e-02 2.50e+03
pdb="C4 G E 193 " -0.000 2.00e-02 2.50e+03
delta sigma weight rms_deltas residual
plane pdb="C1' G E 213 " -0.000 2.00e-02 2.50e+03 2.01e-03 1.21e-01
pdb="N9 G E 213 " 0.000 2.00e-02 2.50e+03
pdb="C8 G E 213 " -0.000 2.00e-02 2.50e+03
pdb="N7 G E 213 " -0.000 2.00e-02 2.50e+03
pdb="C5 G E 213 " 0.000 2.00e-02 2.50e+03
pdb="C6 G E 213 " 0.001 2.00e-02 2.50e+03
pdb="O6 G E 213 " 0.002 2.00e-02 2.50e+03
pdb="N1 G E 213 " -0.006 2.00e-02 2.50e+03
pdb="C2 G E 213 " 0.001 2.00e-02 2.50e+03
pdb="N2 G E 213 " 0.002 2.00e-02 2.50e+03
pdb="N3 G E 213 " -0.000 2.00e-02 2.50e+03
pdb="C4 G E 213 " -0.000 2.00e-02 2.50e+03
delta sigma weight rms_deltas residual
plane pdb="C1' G E 236 " -0.000 2.00e-02 2.50e+03 2.00e-03 1.20e-01
pdb="N9 G E 236 " 0.001 2.00e-02 2.50e+03
pdb="C8 G E 236 " -0.001 2.00e-02 2.50e+03
pdb="N7 G E 236 " -0.000 2.00e-02 2.50e+03
pdb="C5 G E 236 " 0.001 2.00e-02 2.50e+03
pdb="C6 G E 236 " 0.001 2.00e-02 2.50e+03
pdb="O6 G E 236 " 0.002 2.00e-02 2.50e+03
pdb="N1 G E 236 " -0.006 2.00e-02 2.50e+03
pdb="C2 G E 236 " 0.001 2.00e-02 2.50e+03
pdb="N2 G E 236 " 0.002 2.00e-02 2.50e+03
pdb="N3 G E 236 " 0.000 2.00e-02 2.50e+03
pdb="C4 G E 236 " -0.001 2.00e-02 2.50e+03
... (remaining 260 not shown)

Histogram of nonbonded interaction distances:
0.14 - 1.09: 820
1.09 - 2.04: 4445
2.04 - 3.00: 12971
3.00 - 3.95: 25510
3.95 - 4.90: 34819
Warning: very small nonbonded interaction distances.
Nonbonded interactions: 78565
Sorted by model distance:
nonbonded pdb="C1' A A 29 "
pdb="OP3 G A 30 "
model vdw
0.140 3.470
nonbonded pdb="C6 C E 181 "
pdb="C1' A E 197 "
model vdw
0.142 3.770
nonbonded pdb="N9 G E 201 "
pdb="OP2 G E 204 "
model vdw
0.144 3.120
nonbonded pdb="N2 G C 145 "
pdb="C2 C C 146 "
model vdw
0.173 3.340
nonbonded pdb="C2' G B 110 "
pdb="O5' C B 111 "
model vdw
0.175 3.470
... (remaining 78560 not shown)

NOTE: a complete listing of the restraints can be obtained by requesting
output of .geo file.
Find NCS groups from input model
Time spend for trying shortcut: 0.00
========== WARNING! ============

No NCS relation were found !!!

================================

Found NCS groups:
found none.
Set up NCS constraints
No NCS constraints will be used in refinement.
Set refine NCS operators
Adjust number of macro_cycles
Number of macro_cycles: 5
Reset NCS operators
Extract rigid body selections
Check and reset occupancies
Occupancies: min=1.00 max=1.00 mean=1.00
cos tables
Set ADP refinement strategy
ADPs will be refined as group one per residue
Make a string to write initial .geo file
Internal consistency checks
Time:
Set random seed: 0.000
Set model cs if undefined: 0.000
Decide on map wrapping: 0.000
Normalize map: mean=0, sd=1: 0.930
Set stop_for_unknowns flag: 0.000
Assert model is a single copy model: 0.000
Assert all atoms have isotropic ADPs: 0.000
Construct map_model_manager: 0.000
Extract box with map and model: 0.070
Check model and map are aligned: 0.010
Set scattering table: 0.060
Process input model: 5.650
Find NCS groups from input model: 0.010
Set up NCS constraints: 0.010
Set refine NCS operators: 0.000
Adjust number of macro_cycles: 0.000
Reset NCS operators: 0.000
Extract rigid body selections: 0.000
Check and reset occupancies: 0.000
cos tables:0.780
Set ADP refinement strategy: 0.000
Make a string to write initial .geo file:3.040
Internal consistency checks: 0.000
Total: 10.560
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.1849
moved from start: 0.0000

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.129 1.605 6574 Z= 8.396
Angle : 11.650 116.358 10394 Z= 6.438
Chirality : 4.687 5.466 1315
Planarity : 0.002 0.002 263
Dihedral : 55.010 165.560 3732
Min Nonbonded Distance : 0.140

Molprobity Statistics.
All-atom Clashscore : 184.50
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.12851 ( 6574)
covalent geometry : angle 11.64978 (10394)
hydrogen bonds : bond 0.62442 ( 46)

*********************** REFINEMENT MACRO_CYCLE 1 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.064
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0673
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.036
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 12 optimal weight: 0.9980
chunk 13 optimal weight: 0.9990
chunk 1 optimal weight: 0.9980
chunk 8 optimal weight: 2.9990
chunk 16 optimal weight: 5.9990
chunk 15 optimal weight: 7.9990
chunk 9 optimal weight: 8.9990
chunk 11 optimal weight: 2.9990
chunk 18 optimal weight: 7.9990
chunk 6 optimal weight: 0.9990
chunk 4 optimal weight: 2.9990
overall best weight: 1.3986

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4982 r_free = 0.4982 target = 0.198682 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 55)----------------|
| r_work = 0.4740 r_free = 0.4740 target = 0.166336 restraints weight = 69826.714|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 19)----------------|
| r_work = 0.4740 r_free = 0.4740 target = 0.166474 restraints weight = 61035.890|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 22)----------------|
| r_work = 0.4740 r_free = 0.4740 target = 0.166474 restraints weight = 59276.021|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 22)----------------|
| r_work = 0.4740 r_free = 0.4740 target = 0.166474 restraints weight = 59276.021|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 22)----------------|
| r_work = 0.4740 r_free = 0.4740 target = 0.166474 restraints weight = 59276.021|
|-----------------------------------------------------------------------------|
r_work (final): 0.4639
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.4759
moved from start: 1.9208

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.033 0.582 6574 Z= 1.812
Angle : 5.563 66.966 10394 Z= 2.119
Chirality : 0.437 5.050 1315
Planarity : 0.013 0.063 263
Dihedral : 40.292 178.417 3732
Min Nonbonded Distance : 1.593

Molprobity Statistics.
All-atom Clashscore : 56.92
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03321 ( 6574)
covalent geometry : angle 5.56341 (10394)
hydrogen bonds : bond 1.20996 ( 46)

*********************** REFINEMENT MACRO_CYCLE 2 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.062
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0558
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.049
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 8 optimal weight: 0.6980
chunk 6 optimal weight: 3.9990
chunk 11 optimal weight: 2.9990
chunk 0 optimal weight: 4.9990
chunk 9 optimal weight: 5.9990
chunk 19 optimal weight: 0.9980
chunk 13 optimal weight: 4.9990
chunk 23 optimal weight: 6.9990
chunk 7 optimal weight: 2.9990
chunk 12 optimal weight: 3.9990
chunk 4 optimal weight: 0.8980
overall best weight: 1.7184

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4862 r_free = 0.4862 target = 0.181857 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 56)----------------|
| r_work = 0.4572 r_free = 0.4572 target = 0.147989 restraints weight = 70266.916|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 35)----------------|
| r_work = 0.4593 r_free = 0.4593 target = 0.148909 restraints weight = 58301.429|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 22)----------------|
| r_work = 0.4593 r_free = 0.4593 target = 0.148909 restraints weight = 49735.446|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 22)----------------|
| r_work = 0.4593 r_free = 0.4593 target = 0.148909 restraints weight = 49735.446|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 22)----------------|
| r_work = 0.4593 r_free = 0.4593 target = 0.148909 restraints weight = 49735.446|
|-----------------------------------------------------------------------------|
r_work (final): 0.4435
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6100
moved from start: 2.3282

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.539 6574 Z= 1.730
Angle : 5.138 63.689 10394 Z= 1.870
Chirality : 0.318 4.864 1315
Planarity : 0.007 0.038 263
Dihedral : 37.745 179.857 3732
Min Nonbonded Distance : 1.668

Molprobity Statistics.
All-atom Clashscore : 41.86
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03195 ( 6574)
covalent geometry : angle 5.13828 (10394)
hydrogen bonds : bond 0.95191 ( 46)

*********************** REFINEMENT MACRO_CYCLE 3 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.063
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0724
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.037
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 16 optimal weight: 1.9990
chunk 9 optimal weight: 7.9990
chunk 18 optimal weight: 5.9990
chunk 1 optimal weight: 9.9990
chunk 4 optimal weight: 2.9990
chunk 15 optimal weight: 9.9990
chunk 6 optimal weight: 5.9990
chunk 13 optimal weight: 4.9990
chunk 20 optimal weight: 6.9990
chunk 21 optimal weight: 4.9990
chunk 22 optimal weight: 5.9990
overall best weight: 4.1990

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4575 r_free = 0.4575 target = 0.154991 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 50)----------------|
| r_work = 0.4236 r_free = 0.4236 target = 0.117591 restraints weight = 70733.590|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 28)----------------|
| r_work = 0.4249 r_free = 0.4249 target = 0.117798 restraints weight = 69677.658|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 22)----------------|
| r_work = 0.4249 r_free = 0.4249 target = 0.117798 restraints weight = 58133.279|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 22)----------------|
| r_work = 0.4249 r_free = 0.4249 target = 0.117798 restraints weight = 58132.957|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 22)----------------|
| r_work = 0.4249 r_free = 0.4249 target = 0.117798 restraints weight = 58132.957|
|-----------------------------------------------------------------------------|
r_work (final): 0.4061
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7039
moved from start: 2.7347

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.532 6574 Z= 1.743
Angle : 5.156 64.412 10394 Z= 1.896
Chirality : 0.321 4.730 1315
Planarity : 0.009 0.034 263
Dihedral : 37.604 177.577 3732
Min Nonbonded Distance : 1.669

Molprobity Statistics.
All-atom Clashscore : 55.42
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03220 ( 6574)
covalent geometry : angle 5.15638 (10394)
hydrogen bonds : bond 0.93684 ( 46)

*********************** REFINEMENT MACRO_CYCLE 4 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.055
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0575
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.038
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 9 optimal weight: 5.9990
chunk 13 optimal weight: 5.9990
chunk 21 optimal weight: 4.9990
chunk 11 optimal weight: 0.9990
chunk 4 optimal weight: 0.8980
chunk 22 optimal weight: 5.9990
chunk 18 optimal weight: 5.9990
chunk 20 optimal weight: 7.9990
chunk 14 optimal weight: 5.9990
chunk 10 optimal weight: 5.9990
chunk 3 optimal weight: 4.9990
overall best weight: 3.5788

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4514 r_free = 0.4514 target = 0.150702 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 50)----------------|
| r_work = 0.4148 r_free = 0.4148 target = 0.113481 restraints weight = 71251.334|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 34)----------------|
| r_work = 0.4159 r_free = 0.4159 target = 0.113448 restraints weight = 65032.878|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 30)----------------|
| r_work = 0.4163 r_free = 0.4163 target = 0.113667 restraints weight = 54372.019|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 26)----------------|
| r_work = 0.4164 r_free = 0.4164 target = 0.113658 restraints weight = 50899.996|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 19)----------------|
| r_work = 0.4163 r_free = 0.4163 target = 0.113652 restraints weight = 49772.393|
|-----------------------------------------------------------------------------|
r_work (final): 0.4076
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6831
moved from start: 2.8740

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.507 6574 Z= 1.717
Angle : 4.972 64.373 10394 Z= 1.821
Chirality : 0.322 4.776 1315
Planarity : 0.007 0.028 263
Dihedral : 37.076 179.891 3732
Min Nonbonded Distance : 1.662

Molprobity Statistics.
All-atom Clashscore : 48.89
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03181 ( 6574)
covalent geometry : angle 4.97169 (10394)
hydrogen bonds : bond 0.85001 ( 46)

*********************** REFINEMENT MACRO_CYCLE 5 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.059
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0549
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.038
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 6 optimal weight: 6.9990
chunk 0 optimal weight: 6.9990
chunk 4 optimal weight: 0.8980
chunk 22 optimal weight: 6.9990
chunk 20 optimal weight: 7.9990
chunk 9 optimal weight: 5.9990
chunk 3 optimal weight: 3.9990
chunk 5 optimal weight: 0.9990
chunk 16 optimal weight: 5.9990
chunk 17 optimal weight: 20.0000
chunk 11 optimal weight: 2.9990
overall best weight: 2.9788

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4490 r_free = 0.4490 target = 0.148113 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 36)----------------|
| r_work = 0.4103 r_free = 0.4103 target = 0.114025 restraints weight = 69932.643|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 33)----------------|
| r_work = 0.4122 r_free = 0.4122 target = 0.112823 restraints weight = 65481.298|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 21)----------------|
| r_work = 0.4122 r_free = 0.4122 target = 0.112828 restraints weight = 52469.636|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 22)----------------|
| r_work = 0.4122 r_free = 0.4122 target = 0.112827 restraints weight = 52408.245|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 22)----------------|
| r_work = 0.4122 r_free = 0.4122 target = 0.112827 restraints weight = 52408.035|
|-----------------------------------------------------------------------------|
r_work (final): 0.3915
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6969
moved from start: 3.0008

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.511 6574 Z= 1.716
Angle : 4.952 64.230 10394 Z= 1.801
Chirality : 0.315 4.724 1315
Planarity : 0.007 0.029 263
Dihedral : 36.656 179.392 3732
Min Nonbonded Distance : 1.660

Molprobity Statistics.
All-atom Clashscore : 44.37
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03181 ( 6574)
covalent geometry : angle 4.95232 (10394)
hydrogen bonds : bond 0.83049 ( 46)
Origin is already at (0, 0, 0), no shifts will be applied

===============================================================================
Job complete
usr+sys time: 843.28 seconds
wall clock time: 15 minutes 47.25 seconds (947.25 seconds total)

mon_lib_list.cif
ALA.cif
ASP.cif
ASN.cif
CYS.cif
GLN.cif
GLY.cif
GLU.cif
PHE.cif
HIS.cif
ILE.cif
LYS.cif
LEU.cif
MET.cif
MSE.cif
PRO.cif
ARG.cif
SER.cif
THR.cif
VAL.cif
TRP.cif
TYR.cif
PO4.cif
SO4.cif
GOL.cif
CIT.cif
EDO.cif
A.cif
C.cif
G.cif
U.cif
DA.cif
DC.cif
DG.cif
DT.cif
HOH.cif
NA.cif
Spacegroup: P 1
(filter-fileselection-filenames-state)
(get-active-map-drag-flag)
(use-graphics-interface-state)
INFO:: coot.py imported
coot_load_modules.py
Good Morning Kihara, Welcome to Coot version 0.9.8
(set-display-intro-string "Good Morning Kihara, Welcome to Coot version 0.9.8")
(use-graphics-interface-state)
.coot-preferences does not exist. Won't read preferences.
(filter-fileselection-filenames-state)
(get-active-map-drag-flag)
(use-graphics-interface-state)
Good morning Kihara Lab Web User,UMS. Welcome to Coot 0.9.8.
(set-display-intro-string "Good morning Kihara. Welcome to Coot 0.9.8")
(set-display-lists-for-maps 1)
.coot-preferences does not exist. Won't read .scm preferences.
(filter-fileselection-filenames-state)
(get-active-map-drag-flag)
INFO:: There are 1 command line scripts to run
coot_refine.py
calling run_script() for file coot_refine.py
debug:: run_script() on coot_refine.py
Running python script coot_refine.py
Refine_cycle1.pdb" 1)
Refine_cycle1.pdb
Refine_cycle1.pdb has been read.
Spacegroup: P 1
INFO:: Found 1 models
Model 1 had 0 links
95
95
95
95
95
95
95
22
22
22
22
22
22
31
31
31
31
31
90
90
90
90
5
5
5
12
12
5
INFO:: in run_post_read_model_hook() pFunc 0x56fafd669c80 is not callable
INFO:: in run_post_read_model_hook() pDict 0x7d209f10e170
INFO:: in run_post_read_model_hook() pModule 0x7d209f10d1d0
Molecule 0 read successfully
INFO:: map file type was determined to be CCP4 type
DEBUG:: init xmap with P 1 Cell ( 297, 297, 297, 90, 90, 90) Nuvw = ( 297, 297, 297)
INFO:: map read 706 milliseconds
0.00300771 26107414 ****************************************************************************************************|
0.00902312 0
0.0150385 8041
0.021054 17087
0.0270694 15436
0.0330848 12569
0.0391002 9717
0.0451156 7945
0.051131 6023
0.0571464 4565
0.0631619 3292
0.0691773 2334
0.0751927 1517
0.0812081 922
0.0872235 620
0.0932389 308
0.0992543 159
0.10527 81
0.111285 30
0.117301 12
0.123316 1
Pre-filter Map statistics: mean: 0.000125784 st.d: 0.00235185
Pre-filter Map statistics: min: 0 max: 0.120308
INFO:: n grid points: 26198073
INFO:: mean before filtering: 0.000125784
INFO:: variance before filtering: 5.53122e-06
INFO:: filter by ignoring 26107414 of 26198073 counts ( = 99.65%) with values around 6.015e-06 bounds 0 1.203e-05 from bin-number 0 of 10000
Post-filter Map statistics: mean: 0.03635 st.d: 0.01679
Post-filter Map statistics: min: 0 max: 0.1203
INFO:: map_density_distribution() took 291 milliseconds
------------------------- em 1 contour_level 0.07553
Map extents: ..... 297 297 297
Map mean: ........ 0.03635
Map rmsd: ........ 0.01679
Map maximum: ..... 0.1203
Map minimum: ..... 0
(set-contour-level-absolute 0.02)
(n-chains 0)
(chain_id 0 0)
(chain_id 0 1)
(chain_id 0 2)
(chain_id 0 3)
(chain_id 0 4)
(chain_id 0 5)
(chain_id 0 6)
(chain_id 0 7)
(chain-n-residues "A" 0)
There are 95 residues in chain A
(resname-from-serial-number 0 "A" 0)
(seqnum-from-serial-number 0 "A" 0)
(insertion-code-from-serial-number 0 "A" 0)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 1)
(seqnum-from-serial-number 0 "A" 1)
(insertion-code-from-serial-number 0 "A" 1)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 2)
(seqnum-from-serial-number 0 "A" 2)
(insertion-code-from-serial-number 0 "A" 2)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 3)
(seqnum-from-serial-number 0 "A" 3)
(insertion-code-from-serial-number 0 "A" 3)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 4)
(seqnum-from-serial-number 0 "A" 4)
(insertion-code-from-serial-number 0 "A" 4)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 5)
(seqnum-from-serial-number 0 "A" 5)
(insertion-code-from-serial-number 0 "A" 5)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 6)
(seqnum-from-serial-number 0 "A" 6)
(insertion-code-from-serial-number 0 "A" 6)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 7)
(seqnum-from-serial-number 0 "A" 7)
(insertion-code-from-serial-number 0 "A" 7)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 8)
(seqnum-from-serial-number 0 "A" 8)
(insertion-code-from-serial-number 0 "A" 8)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 9)
(seqnum-from-serial-number 0 "A" 9)
(insertion-code-from-serial-number 0 "A" 9)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 10)
(seqnum-from-serial-number 0 "A" 10)
(insertion-code-from-serial-number 0 "A" 10)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 11)
(seqnum-from-serial-number 0 "A" 11)
(insertion-code-from-serial-number 0 "A" 11)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 12)
(seqnum-from-serial-number 0 "A" 12)
(insertion-code-from-serial-number 0 "A" 12)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 13)
(seqnum-from-serial-number 0 "A" 13)
(insertion-code-from-serial-number 0 "A" 13)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 14)
(seqnum-from-serial-number 0 "A" 14)
(insertion-code-from-serial-number 0 "A" 14)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 15)
(seqnum-from-serial-number 0 "A" 15)
(insertion-code-from-serial-number 0 "A" 15)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 16)
(seqnum-from-serial-number 0 "A" 16)
(insertion-code-from-serial-number 0 "A" 16)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 17)
(seqnum-from-serial-number 0 "A" 17)
(insertion-code-from-serial-number 0 "A" 17)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 18)
(seqnum-from-serial-number 0 "A" 18)
(insertion-code-from-serial-number 0 "A" 18)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 19)
(seqnum-from-serial-number 0 "A" 19)
(insertion-code-from-serial-number 0 "A" 19)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 20)
(seqnum-from-serial-number 0 "A" 20)
(insertion-code-from-serial-number 0 "A" 20)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 21)
(seqnum-from-serial-number 0 "A" 21)
(insertion-code-from-serial-number 0 "A" 21)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 22)
(seqnum-from-serial-number 0 "A" 22)
(insertion-code-from-serial-number 0 "A" 22)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 23)
(seqnum-from-serial-number 0 "A" 23)
(insertion-code-from-serial-number 0 "A" 23)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 24)
(seqnum-from-serial-number 0 "A" 24)
(insertion-code-from-serial-number 0 "A" 24)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 25)
(seqnum-from-serial-number 0 "A" 25)
(insertion-code-from-serial-number 0 "A" 25)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 26)
(seqnum-from-serial-number 0 "A" 26)
(insertion-code-from-serial-number 0 "A" 26)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 27)
(seqnum-from-serial-number 0 "A" 27)
(insertion-code-from-serial-number 0 "A" 27)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 28)
(seqnum-from-serial-number 0 "A" 28)
(insertion-code-from-serial-number 0 "A" 28)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 29)
(seqnum-from-serial-number 0 "A" 29)
(insertion-code-from-serial-number 0 "A" 29)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 30)
(seqnum-from-serial-number 0 "A" 30)
(insertion-code-from-serial-number 0 "A" 30)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 31)
(seqnum-from-serial-number 0 "A" 31)
(insertion-code-from-serial-number 0 "A" 31)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 32)
(seqnum-from-serial-number 0 "A" 32)
(insertion-code-from-serial-number 0 "A" 32)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 33)
(seqnum-from-serial-number 0 "A" 33)
(insertion-code-from-serial-number 0 "A" 33)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 34)
(seqnum-from-serial-number 0 "A" 34)
(insertion-code-from-serial-number 0 "A" 34)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 35)
(seqnum-from-serial-number 0 "A" 35)
(insertion-code-from-serial-number 0 "A" 35)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 36)
(seqnum-from-serial-number 0 "A" 36)
(insertion-code-from-serial-number 0 "A" 36)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 37)
(seqnum-from-serial-number 0 "A" 37)
(insertion-code-from-serial-number 0 "A" 37)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 38)
(seqnum-from-serial-number 0 "A" 38)
(insertion-code-from-serial-number 0 "A" 38)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 39)
(seqnum-from-serial-number 0 "A" 39)
(insertion-code-from-serial-number 0 "A" 39)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 40)
(seqnum-from-serial-number 0 "A" 40)
(insertion-code-from-serial-number 0 "A" 40)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 41)
(seqnum-from-serial-number 0 "A" 41)
(insertion-code-from-serial-number 0 "A" 41)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 42)
(seqnum-from-serial-number 0 "A" 42)
(insertion-code-from-serial-number 0 "A" 42)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 43)
(seqnum-from-serial-number 0 "A" 43)
(insertion-code-from-serial-number 0 "A" 43)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 44)
(seqnum-from-serial-number 0 "A" 44)
(insertion-code-from-serial-number 0 "A" 44)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 45)
(seqnum-from-serial-number 0 "A" 45)
(insertion-code-from-serial-number 0 "A" 45)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 46)
(seqnum-from-serial-number 0 "A" 46)
(insertion-code-from-serial-number 0 "A" 46)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 47)
(seqnum-from-serial-number 0 "A" 47)
(insertion-code-from-serial-number 0 "A" 47)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 48)
(seqnum-from-serial-number 0 "A" 48)
(insertion-code-from-serial-number 0 "A" 48)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 49)
(seqnum-from-serial-number 0 "A" 49)
(insertion-code-from-serial-number 0 "A" 49)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 50)
(seqnum-from-serial-number 0 "A" 50)
(insertion-code-from-serial-number 0 "A" 50)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 51)
(seqnum-from-serial-number 0 "A" 51)
(insertion-code-from-serial-number 0 "A" 51)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 52)
(seqnum-from-serial-number 0 "A" 52)
(insertion-code-from-serial-number 0 "A" 52)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 53)
(seqnum-from-serial-number 0 "A" 53)
(insertion-code-from-serial-number 0 "A" 53)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 54)
(seqnum-from-serial-number 0 "A" 54)
(insertion-code-from-serial-number 0 "A" 54)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 55)
(seqnum-from-serial-number 0 "A" 55)
(insertion-code-from-serial-number 0 "A" 55)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 56)
(seqnum-from-serial-number 0 "A" 56)
(insertion-code-from-serial-number 0 "A" 56)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 57)
(seqnum-from-serial-number 0 "A" 57)
(insertion-code-from-serial-number 0 "A" 57)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 58)
(seqnum-from-serial-number 0 "A" 58)
(insertion-code-from-serial-number 0 "A" 58)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 59)
(seqnum-from-serial-number 0 "A" 59)
(insertion-code-from-serial-number 0 "A" 59)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 60)
(seqnum-from-serial-number 0 "A" 60)
(insertion-code-from-serial-number 0 "A" 60)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 61)
(seqnum-from-serial-number 0 "A" 61)
(insertion-code-from-serial-number 0 "A" 61)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 62)
(seqnum-from-serial-number 0 "A" 62)
(insertion-code-from-serial-number 0 "A" 62)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 63)
(seqnum-from-serial-number 0 "A" 63)
(insertion-code-from-serial-number 0 "A" 63)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 64)
(seqnum-from-serial-number 0 "A" 64)
(insertion-code-from-serial-number 0 "A" 64)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 65)
(seqnum-from-serial-number 0 "A" 65)
(insertion-code-from-serial-number 0 "A" 65)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 66)
(seqnum-from-serial-number 0 "A" 66)
(insertion-code-from-serial-number 0 "A" 66)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 67)
(seqnum-from-serial-number 0 "A" 67)
(insertion-code-from-serial-number 0 "A" 67)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 68)
(seqnum-from-serial-number 0 "A" 68)
(insertion-code-from-serial-number 0 "A" 68)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 69)
(seqnum-from-serial-number 0 "A" 69)
(insertion-code-from-serial-number 0 "A" 69)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 70)
(seqnum-from-serial-number 0 "A" 70)
(insertion-code-from-serial-number 0 "A" 70)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 71)
(seqnum-from-serial-number 0 "A" 71)
(insertion-code-from-serial-number 0 "A" 71)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 72)
(seqnum-from-serial-number 0 "A" 72)
(insertion-code-from-serial-number 0 "A" 72)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 73)
(seqnum-from-serial-number 0 "A" 73)
(insertion-code-from-serial-number 0 "A" 73)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 74)
(seqnum-from-serial-number 0 "A" 74)
(insertion-code-from-serial-number 0 "A" 74)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 75)
(seqnum-from-serial-number 0 "A" 75)
(insertion-code-from-serial-number 0 "A" 75)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 76)
(seqnum-from-serial-number 0 "A" 76)
(insertion-code-from-serial-number 0 "A" 76)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 77)
(seqnum-from-serial-number 0 "A" 77)
(insertion-code-from-serial-number 0 "A" 77)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 78)
(seqnum-from-serial-number 0 "A" 78)
(insertion-code-from-serial-number 0 "A" 78)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 79)
(seqnum-from-serial-number 0 "A" 79)
(insertion-code-from-serial-number 0 "A" 79)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 80)
(seqnum-from-serial-number 0 "A" 80)
(insertion-code-from-serial-number 0 "A" 80)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 81)
(seqnum-from-serial-number 0 "A" 81)
(insertion-code-from-serial-number 0 "A" 81)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 82)
(seqnum-from-serial-number 0 "A" 82)
(insertion-code-from-serial-number 0 "A" 82)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 83)
(seqnum-from-serial-number 0 "A" 83)
(insertion-code-from-serial-number 0 "A" 83)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 84)
(seqnum-from-serial-number 0 "A" 84)
(insertion-code-from-serial-number 0 "A" 84)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 85)
(seqnum-from-serial-number 0 "A" 85)
(insertion-code-from-serial-number 0 "A" 85)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 86)
(seqnum-from-serial-number 0 "A" 86)
(insertion-code-from-serial-number 0 "A" 86)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 87)
(seqnum-from-serial-number 0 "A" 87)
(insertion-code-from-serial-number 0 "A" 87)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 88)
(seqnum-from-serial-number 0 "A" 88)
(insertion-code-from-serial-number 0 "A" 88)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 89)
(seqnum-from-serial-number 0 "A" 89)
(insertion-code-from-serial-number 0 "A" 89)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 90)
(seqnum-from-serial-number 0 "A" 90)
(insertion-code-from-serial-number 0 "A" 90)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 91)
(seqnum-from-serial-number 0 "A" 91)
(insertion-code-from-serial-number 0 "A" 91)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 92)
(seqnum-from-serial-number 0 "A" 92)
(insertion-code-from-serial-number 0 "A" 92)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 93)
(seqnum-from-serial-number 0 "A" 93)
(insertion-code-from-serial-number 0 "A" 93)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "A" 94)
(seqnum-from-serial-number 0 "A" 94)
(insertion-code-from-serial-number 0 "A" 94)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(chain-n-residues "B" 0)
There are 22 residues in chain B
(resname-from-serial-number 0 "B" 0)
(seqnum-from-serial-number 0 "B" 0)
(insertion-code-from-serial-number 0 "B" 0)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 1)
(seqnum-from-serial-number 0 "B" 1)
(insertion-code-from-serial-number 0 "B" 1)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 2)
(seqnum-from-serial-number 0 "B" 2)
(insertion-code-from-serial-number 0 "B" 2)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 3)
(seqnum-from-serial-number 0 "B" 3)
(insertion-code-from-serial-number 0 "B" 3)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 4)
(seqnum-from-serial-number 0 "B" 4)
(insertion-code-from-serial-number 0 "B" 4)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 5)
(seqnum-from-serial-number 0 "B" 5)
(insertion-code-from-serial-number 0 "B" 5)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 6)
(seqnum-from-serial-number 0 "B" 6)
(insertion-code-from-serial-number 0 "B" 6)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 7)
(seqnum-from-serial-number 0 "B" 7)
(insertion-code-from-serial-number 0 "B" 7)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 8)
(seqnum-from-serial-number 0 "B" 8)
(insertion-code-from-serial-number 0 "B" 8)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 9)
(seqnum-from-serial-number 0 "B" 9)
(insertion-code-from-serial-number 0 "B" 9)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 10)
(seqnum-from-serial-number 0 "B" 10)
(insertion-code-from-serial-number 0 "B" 10)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 11)
(seqnum-from-serial-number 0 "B" 11)
(insertion-code-from-serial-number 0 "B" 11)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 12)
(seqnum-from-serial-number 0 "B" 12)
(insertion-code-from-serial-number 0 "B" 12)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 13)
(seqnum-from-serial-number 0 "B" 13)
(insertion-code-from-serial-number 0 "B" 13)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 14)
(seqnum-from-serial-number 0 "B" 14)
(insertion-code-from-serial-number 0 "B" 14)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 15)
(seqnum-from-serial-number 0 "B" 15)
(insertion-code-from-serial-number 0 "B" 15)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 16)
(seqnum-from-serial-number 0 "B" 16)
(insertion-code-from-serial-number 0 "B" 16)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 17)
(seqnum-from-serial-number 0 "B" 17)
(insertion-code-from-serial-number 0 "B" 17)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 18)
(seqnum-from-serial-number 0 "B" 18)
(insertion-code-from-serial-number 0 "B" 18)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 19)
(seqnum-from-serial-number 0 "B" 19)
(insertion-code-from-serial-number 0 "B" 19)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 20)
(seqnum-from-serial-number 0 "B" 20)
(insertion-code-from-serial-number 0 "B" 20)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "B" 21)
(seqnum-from-serial-number 0 "B" 21)
(insertion-code-from-serial-number 0 "B" 21)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(chain-n-residues "C" 0)
There are 31 residues in chain C
(resname-from-serial-number 0 "C" 0)
(seqnum-from-serial-number 0 "C" 0)
(insertion-code-from-serial-number 0 "C" 0)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 1)
(seqnum-from-serial-number 0 "C" 1)
(insertion-code-from-serial-number 0 "C" 1)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 2)
(seqnum-from-serial-number 0 "C" 2)
(insertion-code-from-serial-number 0 "C" 2)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 3)
(seqnum-from-serial-number 0 "C" 3)
(insertion-code-from-serial-number 0 "C" 3)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 4)
(seqnum-from-serial-number 0 "C" 4)
(insertion-code-from-serial-number 0 "C" 4)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 5)
(seqnum-from-serial-number 0 "C" 5)
(insertion-code-from-serial-number 0 "C" 5)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 6)
(seqnum-from-serial-number 0 "C" 6)
(insertion-code-from-serial-number 0 "C" 6)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 7)
(seqnum-from-serial-number 0 "C" 7)
(insertion-code-from-serial-number 0 "C" 7)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 8)
(seqnum-from-serial-number 0 "C" 8)
(insertion-code-from-serial-number 0 "C" 8)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 9)
(seqnum-from-serial-number 0 "C" 9)
(insertion-code-from-serial-number 0 "C" 9)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 10)
(seqnum-from-serial-number 0 "C" 10)
(insertion-code-from-serial-number 0 "C" 10)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 11)
(seqnum-from-serial-number 0 "C" 11)
(insertion-code-from-serial-number 0 "C" 11)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 12)
(seqnum-from-serial-number 0 "C" 12)
(insertion-code-from-serial-number 0 "C" 12)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 13)
(seqnum-from-serial-number 0 "C" 13)
(insertion-code-from-serial-number 0 "C" 13)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 14)
(seqnum-from-serial-number 0 "C" 14)
(insertion-code-from-serial-number 0 "C" 14)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 15)
(seqnum-from-serial-number 0 "C" 15)
(insertion-code-from-serial-number 0 "C" 15)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 16)
(seqnum-from-serial-number 0 "C" 16)
(insertion-code-from-serial-number 0 "C" 16)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 17)
(seqnum-from-serial-number 0 "C" 17)
(insertion-code-from-serial-number 0 "C" 17)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 18)
(seqnum-from-serial-number 0 "C" 18)
(insertion-code-from-serial-number 0 "C" 18)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 19)
(seqnum-from-serial-number 0 "C" 19)
(insertion-code-from-serial-number 0 "C" 19)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 20)
(seqnum-from-serial-number 0 "C" 20)
(insertion-code-from-serial-number 0 "C" 20)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 21)
(seqnum-from-serial-number 0 "C" 21)
(insertion-code-from-serial-number 0 "C" 21)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 22)
(seqnum-from-serial-number 0 "C" 22)
(insertion-code-from-serial-number 0 "C" 22)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 23)
(seqnum-from-serial-number 0 "C" 23)
(insertion-code-from-serial-number 0 "C" 23)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 24)
(seqnum-from-serial-number 0 "C" 24)
(insertion-code-from-serial-number 0 "C" 24)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 25)
(seqnum-from-serial-number 0 "C" 25)
(insertion-code-from-serial-number 0 "C" 25)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 26)
(seqnum-from-serial-number 0 "C" 26)
(insertion-code-from-serial-number 0 "C" 26)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 27)
(seqnum-from-serial-number 0 "C" 27)
(insertion-code-from-serial-number 0 "C" 27)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 28)
(seqnum-from-serial-number 0 "C" 28)
(insertion-code-from-serial-number 0 "C" 28)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 29)
(seqnum-from-serial-number 0 "C" 29)
(insertion-code-from-serial-number 0 "C" 29)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "C" 30)
(seqnum-from-serial-number 0 "C" 30)
(insertion-code-from-serial-number 0 "C" 30)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(chain-n-residues "E" 0)
There are 90 residues in chain E
(resname-from-serial-number 0 "E" 0)
(seqnum-from-serial-number 0 "E" 0)
(insertion-code-from-serial-number 0 "E" 0)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 1)
(seqnum-from-serial-number 0 "E" 1)
(insertion-code-from-serial-number 0 "E" 1)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 2)
(seqnum-from-serial-number 0 "E" 2)
(insertion-code-from-serial-number 0 "E" 2)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 3)
(seqnum-from-serial-number 0 "E" 3)
(insertion-code-from-serial-number 0 "E" 3)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 4)
(seqnum-from-serial-number 0 "E" 4)
(insertion-code-from-serial-number 0 "E" 4)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 5)
(seqnum-from-serial-number 0 "E" 5)
(insertion-code-from-serial-number 0 "E" 5)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 6)
(seqnum-from-serial-number 0 "E" 6)
(insertion-code-from-serial-number 0 "E" 6)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 7)
(seqnum-from-serial-number 0 "E" 7)
(insertion-code-from-serial-number 0 "E" 7)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 8)
(seqnum-from-serial-number 0 "E" 8)
(insertion-code-from-serial-number 0 "E" 8)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 9)
(seqnum-from-serial-number 0 "E" 9)
(insertion-code-from-serial-number 0 "E" 9)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 10)
(seqnum-from-serial-number 0 "E" 10)
(insertion-code-from-serial-number 0 "E" 10)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 11)
(seqnum-from-serial-number 0 "E" 11)
(insertion-code-from-serial-number 0 "E" 11)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 12)
(seqnum-from-serial-number 0 "E" 12)
(insertion-code-from-serial-number 0 "E" 12)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 13)
(seqnum-from-serial-number 0 "E" 13)
(insertion-code-from-serial-number 0 "E" 13)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 14)
(seqnum-from-serial-number 0 "E" 14)
(insertion-code-from-serial-number 0 "E" 14)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 15)
(seqnum-from-serial-number 0 "E" 15)
(insertion-code-from-serial-number 0 "E" 15)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 16)
(seqnum-from-serial-number 0 "E" 16)
(insertion-code-from-serial-number 0 "E" 16)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 17)
(seqnum-from-serial-number 0 "E" 17)
(insertion-code-from-serial-number 0 "E" 17)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 18)
(seqnum-from-serial-number 0 "E" 18)
(insertion-code-from-serial-number 0 "E" 18)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 19)
(seqnum-from-serial-number 0 "E" 19)
(insertion-code-from-serial-number 0 "E" 19)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 20)
(seqnum-from-serial-number 0 "E" 20)
(insertion-code-from-serial-number 0 "E" 20)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 21)
(seqnum-from-serial-number 0 "E" 21)
(insertion-code-from-serial-number 0 "E" 21)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 22)
(seqnum-from-serial-number 0 "E" 22)
(insertion-code-from-serial-number 0 "E" 22)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 23)
(seqnum-from-serial-number 0 "E" 23)
(insertion-code-from-serial-number 0 "E" 23)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 24)
(seqnum-from-serial-number 0 "E" 24)
(insertion-code-from-serial-number 0 "E" 24)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 25)
(seqnum-from-serial-number 0 "E" 25)
(insertion-code-from-serial-number 0 "E" 25)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 26)
(seqnum-from-serial-number 0 "E" 26)
(insertion-code-from-serial-number 0 "E" 26)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 27)
(seqnum-from-serial-number 0 "E" 27)
(insertion-code-from-serial-number 0 "E" 27)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 28)
(seqnum-from-serial-number 0 "E" 28)
(insertion-code-from-serial-number 0 "E" 28)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 29)
(seqnum-from-serial-number 0 "E" 29)
(insertion-code-from-serial-number 0 "E" 29)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 30)
(seqnum-from-serial-number 0 "E" 30)
(insertion-code-from-serial-number 0 "E" 30)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 31)
(seqnum-from-serial-number 0 "E" 31)
(insertion-code-from-serial-number 0 "E" 31)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 32)
(seqnum-from-serial-number 0 "E" 32)
(insertion-code-from-serial-number 0 "E" 32)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 33)
(seqnum-from-serial-number 0 "E" 33)
(insertion-code-from-serial-number 0 "E" 33)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 34)
(seqnum-from-serial-number 0 "E" 34)
(insertion-code-from-serial-number 0 "E" 34)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 35)
(seqnum-from-serial-number 0 "E" 35)
(insertion-code-from-serial-number 0 "E" 35)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 36)
(seqnum-from-serial-number 0 "E" 36)
(insertion-code-from-serial-number 0 "E" 36)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 37)
(seqnum-from-serial-number 0 "E" 37)
(insertion-code-from-serial-number 0 "E" 37)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 38)
(seqnum-from-serial-number 0 "E" 38)
(insertion-code-from-serial-number 0 "E" 38)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 39)
(seqnum-from-serial-number 0 "E" 39)
(insertion-code-from-serial-number 0 "E" 39)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 40)
(seqnum-from-serial-number 0 "E" 40)
(insertion-code-from-serial-number 0 "E" 40)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 41)
(seqnum-from-serial-number 0 "E" 41)
(insertion-code-from-serial-number 0 "E" 41)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 42)
(seqnum-from-serial-number 0 "E" 42)
(insertion-code-from-serial-number 0 "E" 42)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 43)
(seqnum-from-serial-number 0 "E" 43)
(insertion-code-from-serial-number 0 "E" 43)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 44)
(seqnum-from-serial-number 0 "E" 44)
(insertion-code-from-serial-number 0 "E" 44)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 45)
(seqnum-from-serial-number 0 "E" 45)
(insertion-code-from-serial-number 0 "E" 45)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 46)
(seqnum-from-serial-number 0 "E" 46)
(insertion-code-from-serial-number 0 "E" 46)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 47)
(seqnum-from-serial-number 0 "E" 47)
(insertion-code-from-serial-number 0 "E" 47)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 48)
(seqnum-from-serial-number 0 "E" 48)
(insertion-code-from-serial-number 0 "E" 48)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 49)
(seqnum-from-serial-number 0 "E" 49)
(insertion-code-from-serial-number 0 "E" 49)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 50)
(seqnum-from-serial-number 0 "E" 50)
(insertion-code-from-serial-number 0 "E" 50)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 51)
(seqnum-from-serial-number 0 "E" 51)
(insertion-code-from-serial-number 0 "E" 51)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 52)
(seqnum-from-serial-number 0 "E" 52)
(insertion-code-from-serial-number 0 "E" 52)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 53)
(seqnum-from-serial-number 0 "E" 53)
(insertion-code-from-serial-number 0 "E" 53)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 54)
(seqnum-from-serial-number 0 "E" 54)
(insertion-code-from-serial-number 0 "E" 54)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 55)
(seqnum-from-serial-number 0 "E" 55)
(insertion-code-from-serial-number 0 "E" 55)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 56)
(seqnum-from-serial-number 0 "E" 56)
(insertion-code-from-serial-number 0 "E" 56)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 57)
(seqnum-from-serial-number 0 "E" 57)
(insertion-code-from-serial-number 0 "E" 57)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 58)
(seqnum-from-serial-number 0 "E" 58)
(insertion-code-from-serial-number 0 "E" 58)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 59)
(seqnum-from-serial-number 0 "E" 59)
(insertion-code-from-serial-number 0 "E" 59)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 60)
(seqnum-from-serial-number 0 "E" 60)
(insertion-code-from-serial-number 0 "E" 60)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 61)
(seqnum-from-serial-number 0 "E" 61)
(insertion-code-from-serial-number 0 "E" 61)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 62)
(seqnum-from-serial-number 0 "E" 62)
(insertion-code-from-serial-number 0 "E" 62)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 63)
(seqnum-from-serial-number 0 "E" 63)
(insertion-code-from-serial-number 0 "E" 63)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 64)
(seqnum-from-serial-number 0 "E" 64)
(insertion-code-from-serial-number 0 "E" 64)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 65)
(seqnum-from-serial-number 0 "E" 65)
(insertion-code-from-serial-number 0 "E" 65)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 66)
(seqnum-from-serial-number 0 "E" 66)
(insertion-code-from-serial-number 0 "E" 66)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 67)
(seqnum-from-serial-number 0 "E" 67)
(insertion-code-from-serial-number 0 "E" 67)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 68)
(seqnum-from-serial-number 0 "E" 68)
(insertion-code-from-serial-number 0 "E" 68)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 69)
(seqnum-from-serial-number 0 "E" 69)
(insertion-code-from-serial-number 0 "E" 69)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 70)
(seqnum-from-serial-number 0 "E" 70)
(insertion-code-from-serial-number 0 "E" 70)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 71)
(seqnum-from-serial-number 0 "E" 71)
(insertion-code-from-serial-number 0 "E" 71)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 72)
(seqnum-from-serial-number 0 "E" 72)
(insertion-code-from-serial-number 0 "E" 72)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 73)
(seqnum-from-serial-number 0 "E" 73)
(insertion-code-from-serial-number 0 "E" 73)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 74)
(seqnum-from-serial-number 0 "E" 74)
(insertion-code-from-serial-number 0 "E" 74)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 75)
(seqnum-from-serial-number 0 "E" 75)
(insertion-code-from-serial-number 0 "E" 75)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 76)
(seqnum-from-serial-number 0 "E" 76)
(insertion-code-from-serial-number 0 "E" 76)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 77)
(seqnum-from-serial-number 0 "E" 77)
(insertion-code-from-serial-number 0 "E" 77)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 78)
(seqnum-from-serial-number 0 "E" 78)
(insertion-code-from-serial-number 0 "E" 78)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 79)
(seqnum-from-serial-number 0 "E" 79)
(insertion-code-from-serial-number 0 "E" 79)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 80)
(seqnum-from-serial-number 0 "E" 80)
(insertion-code-from-serial-number 0 "E" 80)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 81)
(seqnum-from-serial-number 0 "E" 81)
(insertion-code-from-serial-number 0 "E" 81)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 82)
(seqnum-from-serial-number 0 "E" 82)
(insertion-code-from-serial-number 0 "E" 82)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 83)
(seqnum-from-serial-number 0 "E" 83)
(insertion-code-from-serial-number 0 "E" 83)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 84)
(seqnum-from-serial-number 0 "E" 84)
(insertion-code-from-serial-number 0 "E" 84)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 85)
(seqnum-from-serial-number 0 "E" 85)
(insertion-code-from-serial-number 0 "E" 85)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 86)
(seqnum-from-serial-number 0 "E" 86)
(insertion-code-from-serial-number 0 "E" 86)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 87)
(seqnum-from-serial-number 0 "E" 87)
(insertion-code-from-serial-number 0 "E" 87)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 88)
(seqnum-from-serial-number 0 "E" 88)
(insertion-code-from-serial-number 0 "E" 88)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "E" 89)
(seqnum-from-serial-number 0 "E" 89)
(insertion-code-from-serial-number 0 "E" 89)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(chain-n-residues "F" 0)
There are 5 residues in chain F
(resname-from-serial-number 0 "F" 0)
(seqnum-from-serial-number 0 "F" 0)
(insertion-code-from-serial-number 0 "F" 0)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "F" 1)
(seqnum-from-serial-number 0 "F" 1)
(insertion-code-from-serial-number 0 "F" 1)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "F" 2)
(seqnum-from-serial-number 0 "F" 2)
(insertion-code-from-serial-number 0 "F" 2)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "F" 3)
(seqnum-from-serial-number 0 "F" 3)
(insertion-code-from-serial-number 0 "F" 3)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "F" 4)
(seqnum-from-serial-number 0 "F" 4)
(insertion-code-from-serial-number 0 "F" 4)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(chain-n-residues "G" 0)
There are 12 residues in chain G
(resname-from-serial-number 0 "G" 0)
(seqnum-from-serial-number 0 "G" 0)
(insertion-code-from-serial-number 0 "G" 0)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 1)
(seqnum-from-serial-number 0 "G" 1)
(insertion-code-from-serial-number 0 "G" 1)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 2)
(seqnum-from-serial-number 0 "G" 2)
(insertion-code-from-serial-number 0 "G" 2)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 3)
(seqnum-from-serial-number 0 "G" 3)
(insertion-code-from-serial-number 0 "G" 3)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 4)
(seqnum-from-serial-number 0 "G" 4)
(insertion-code-from-serial-number 0 "G" 4)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 5)
(seqnum-from-serial-number 0 "G" 5)
(insertion-code-from-serial-number 0 "G" 5)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 6)
(seqnum-from-serial-number 0 "G" 6)
(insertion-code-from-serial-number 0 "G" 6)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 7)
(seqnum-from-serial-number 0 "G" 7)
(insertion-code-from-serial-number 0 "G" 7)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 8)
(seqnum-from-serial-number 0 "G" 8)
(insertion-code-from-serial-number 0 "G" 8)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 9)
(seqnum-from-serial-number 0 "G" 9)
(insertion-code-from-serial-number 0 "G" 9)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 10)
(seqnum-from-serial-number 0 "G" 10)
(insertion-code-from-serial-number 0 "G" 10)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "G" 11)
(seqnum-from-serial-number 0 "G" 11)
(insertion-code-from-serial-number 0 "G" 11)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(chain-n-residues "H" 0)
There are 5 residues in chain H
(resname-from-serial-number 0 "H" 0)
(seqnum-from-serial-number 0 "H" 0)
(insertion-code-from-serial-number 0 "H" 0)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "H" 1)
(seqnum-from-serial-number 0 "H" 1)
(insertion-code-from-serial-number 0 "H" 1)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "H" 2)
(seqnum-from-serial-number 0 "H" 2)
(insertion-code-from-serial-number 0 "H" 2)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "H" 3)
(seqnum-from-serial-number 0 "H" 3)
(insertion-code-from-serial-number 0 "H" 3)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "H" 4)
(seqnum-from-serial-number 0 "H" 4)
(insertion-code-from-serial-number 0 "H" 4)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(chain-n-residues "I" 0)
There are 3 residues in chain I
(resname-from-serial-number 0 "I" 0)
(seqnum-from-serial-number 0 "I" 0)
(insertion-code-from-serial-number 0 "I" 0)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "I" 1)
(seqnum-from-serial-number 0 "I" 1)
(insertion-code-from-serial-number 0 "I" 1)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
(resname-from-serial-number 0 "I" 2)
(seqnum-from-serial-number 0 "I" 2)
(insertion-code-from-serial-number 0 "I" 2)
----------------- in create_mmdbmanager_from_res_vector() alt_conf is ""
----------------- in create_mmdbmanager_from_res_vector() use_alt_conf is 0""
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
debug:: in clear_all_atom_pull_restraints() 0
Refine_cycle2.pdb")
(close-molecule 0)
(close-molecule 1)
(stereo-mode-state)
State file 0-coot.state.scm written.
(stereo-mode-state)
State file 0-coot.state.py written.
(save-state)
State file 0-coot-history.py written.
State file 0-coot-history.scm written.
Starting phenix.real_space_refine
on Mon Jun 1 05:00:55 2026 by webdklab
===============================================================================

Processing files:
-------------------------------------------------------------------------------

Refine_cycle2.pdb
mask_map.mrc

Processing PHIL parameters:
-------------------------------------------------------------------------------

Adding command-line PHIL:
-------------------------
resolution=4.3000
output.suffix=_phenix_refine
skip_map_model_overlap_check=True

Final processed PHIL parameters:
-------------------------------------------------------------------------------
data_manager {
model {
Refine_cycle2.pdb"
}
Refine_cycle2.pdb"
mask_map.mrc"
mask_map.mrc"
}
resolution = 4.3000
skip_map_model_overlap_check = True
output {
suffix = _phenix_refine
}


Starting job
===============================================================================
-------------------------------------------------------------------------------
Citation:
*********
Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams
PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography.
Acta Cryst. D74:531-544.

Validating inputs
Origin is already at (0, 0, 0), no shifts will be applied
-------------------------------------------------------------------------------
Processing inputs
*****************
Set random seed
Set to: 0
Set model cs if undefined
Decide on map wrapping
Map wrapping is set to: False
Normalize map: mean=0, sd=1
Input map: mean= 0.000 sd= 0.002
Set stop_for_unknowns flag
Set to: True
Assert model is a single copy model
Assert all atoms have isotropic ADPs
Construct map_model_manager
Extract box with map and model
Check model and map are aligned
Set scattering table
Set to: electron
Number of scattering types: 4
Type Number sf(0) Gaussians
P 263 5.49 5
C 2546 2.51 5
N 1100 2.21 5
O 1801 1.98 5
sf(0) = scattering factor at diffraction angle 0.
Process input model
Monomer Library directory:
mon_lib"
Total number of atoms: 5710
Number of models: 1
Model: ""
Number of chains: 8
Chain: "A"
Number of atoms: 2055
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 95, 2055
Classifications: {'RNA': 95}
Modifications used: {'rna2p_pur': 61, 'rna2p_pyr': 33, 'rna3p_pur': 1}
Link IDs: {'rna2p': 93, 'rna3p': 1}
Chain breaks: 39
Chain: "B"
Number of atoms: 474
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 22, 474
Classifications: {'RNA': 22}
Modifications used: {'rna2p_pur': 14, 'rna2p_pyr': 7, 'rna3p_pyr': 1}
Link IDs: {'rna2p': 20, 'rna3p': 1}
Chain breaks: 9
Chain: "C"
Number of atoms: 678
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 31, 678
Classifications: {'RNA': 31}
Modifications used: {'rna2p_pur': 25, 'rna2p_pyr': 6}
Link IDs: {'rna2p': 30}
Chain breaks: 5
Chain: "E"
Number of atoms: 1970
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 90, 1970
Classifications: {'RNA': 90}
Modifications used: {'rna2p_pur': 64, 'rna2p_pyr': 24, 'rna3p_pur': 2}
Link IDs: {'rna2p': 87, 'rna3p': 2}
Chain breaks: 32
Chain: "F"
Number of atoms: 100
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 5, 100
Classifications: {'RNA': 5}
Modifications used: {'rna2p_pyr': 5}
Link IDs: {'rna2p': 4}
Chain breaks: 1
Chain: "G"
Number of atoms: 252
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 12, 252
Classifications: {'RNA': 12}
Modifications used: {'rna2p_pur': 5, 'rna2p_pyr': 7}
Link IDs: {'rna2p': 11}
Chain breaks: 7
Chain: "H"
Number of atoms: 112
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 5, 112
Classifications: {'RNA': 5}
Modifications used: {'rna2p_pur': 4, 'rna2p_pyr': 1}
Link IDs: {'rna2p': 4}
Chain breaks: 1
Chain: "I"
Number of atoms: 69
Number of conformers: 1
Conformer: ""
Number of residues, atoms: 3, 69
Classifications: {'RNA': 3}
Modifications used: {'rna2p_pur': 3}
Link IDs: {'rna2p': 2}
Chain breaks: 1
Time building chain proxies: 0.84, per 1000 atoms: 0.15
Number of scatterers: 5710
At special positions: 0
Unit cell: (144, 96, 190, 90, 90, 90)
Space group: P 1 (No. 1)
Number of sites at special positions: 0
Number of scattering types: 4
Type Number sf(0)
P 263 15.00
O 1801 8.00
N 1100 7.00
C 2546 6.00
sf(0) = scattering factor at diffraction angle 0.

Number of disulfides: simple=0, symmetry=0

Automatic linking
Parameters for automatic linking
Linking & cutoffs
Metal : Auto - 3.00
Amino acid : True - 1.90
Carbohydrate : True - 1.99
Ligands : True - 1.99
Small molecules : False - 1.98
DNA : False

Number of custom bonds: simple=0, symmetry=0
Time building additional restraints: 0.37
Conformation dependent library (CDL) restraints added in 9.5 milliseconds


0 Ramachandran restraints generated.
2.
Adding C-beta torsion restraints...
Number of C-beta restraints generated: 0

Finding SS restraints...
Secondary structure from input PDB file:
0 helices and 0 sheets defined
0.0% alpha, 0.0% beta
14 base pairs and 0 stacking pairs defined.
Time for finding SS restraints: 0.35
Creating SS restraints...

No hydrogen bonds defined for protein.
Restraints generated for nucleic acids:
28 hydrogen bonds
8 hydrogen bond angles
0 basepair planarities
0 basepair parallelities
0 stacking parallelities
Total time for adding SS restraints: 0.39

Time building geometry restraints manager: 0.44 seconds

NOTE: a complete listing of the restraints can be obtained by requesting
output of .geo file.

Histogram of bond lengths:
1.20 - 1.56: 5853
1.56 - 1.92: 453
1.92 - 2.28: 5
2.28 - 2.63: 0
2.63 - 2.99: 1
Bond restraints: 6312
Sorted by residual:
bond pdb="O3' C B 114 "
pdb="P U B 115 "
ideal model delta sigma weight residual
1.607 2.993 -1.386 1.50e-02 4.44e+03 8.54e+03
bond pdb="C1' A E 185 "
pdb="N9 A E 185 "
ideal model delta sigma weight residual
1.475 1.976 -0.501 1.50e-02 4.44e+03 1.11e+03
bond pdb="O3' G E 193 "
pdb="P G E 194 "
ideal model delta sigma weight residual
1.607 2.060 -0.453 1.50e-02 4.44e+03 9.13e+02
bond pdb="P A E 185 "
pdb="O5' A E 185 "
ideal model delta sigma weight residual
1.593 2.018 -0.425 1.50e-02 4.44e+03 8.02e+02
bond pdb="P G E 156 "
pdb="O5' G E 156 "
ideal model delta sigma weight residual
1.593 1.978 -0.385 1.50e-02 4.44e+03 6.60e+02
... (remaining 6307 not shown)

Histogram of bond angle deviations from ideal:
0.00 - 12.85: 9449
12.85 - 25.69: 54
25.69 - 38.54: 89
38.54 - 51.39: 12
51.39 - 64.23: 5
Bond angle restraints: 9609
Sorted by residual:
angle pdb="C3' C B 114 "
pdb="O3' C B 114 "
pdb="P U B 115 "
ideal model delta sigma weight residual
120.20 158.92 -38.72 1.50e+00 4.44e-01 6.66e+02
angle pdb="O3' C B 114 "
pdb="P U B 115 "
pdb="O5' U B 115 "
ideal model delta sigma weight residual
104.00 69.96 34.04 1.50e+00 4.44e-01 5.15e+02
angle pdb="C8 A E 185 "
pdb="N9 A E 185 "
pdb="C4 A E 185 "
ideal model delta sigma weight residual
105.80 41.57 64.23 3.00e+00 1.11e-01 4.58e+02
angle pdb="C3' G E 193 "
pdb="O3' G E 193 "
pdb="P G E 194 "
ideal model delta sigma weight residual
120.20 152.24 -32.04 1.50e+00 4.44e-01 4.56e+02
angle pdb="P G E 156 "
pdb="O5' G E 156 "
pdb="C5' G E 156 "
ideal model delta sigma weight residual
120.90 151.14 -30.24 1.50e+00 4.44e-01 4.07e+02
... (remaining 9604 not shown)

Histogram of dihedral angle deviations from ideal:
0.01 - 35.88: 2740
35.88 - 71.76: 764
71.76 - 107.64: 171
107.64 - 143.52: 43
143.52 - 179.39: 17
Dihedral angle restraints: 3735
sinusoidal: 3735
harmonic: 0
Sorted by residual:
dihedral pdb="C5' A E 185 "
pdb="C4' A E 185 "
pdb="C3' A E 185 "
pdb="O3' A E 185 "
ideal model delta sinusoidal sigma weight residual
82.00 -134.92 -143.08 1 8.00e+00 1.56e-02 2.70e+02
dihedral pdb="C4' G E 202 "
pdb="C3' G E 202 "
pdb="C2' G E 202 "
pdb="C1' G E 202 "
ideal model delta sinusoidal sigma weight residual
36.00 -34.52 70.52 1 8.00e+00 1.56e-02 1.00e+02
dihedral pdb="O4' G E 202 "
pdb="C2' G E 202 "
pdb="C1' G E 202 "
pdb="C3' G E 202 "
ideal model delta sinusoidal sigma weight residual
25.00 -39.50 64.50 1 8.00e+00 1.56e-02 8.54e+01
... (remaining 3732 not shown)

Histogram of chiral volume deviations from ideal:
0.000 - 0.923: 1275
0.923 - 1.847: 37
1.847 - 2.770: 0
2.770 - 3.693: 0
3.693 - 4.616: 3
Chirality restraints: 1315
Sorted by residual:
chirality pdb="C4' A E 185 "
pdb="C5' A E 185 "
pdb="O4' A E 185 "
pdb="C3' A E 185 "
both_signs ideal model delta sigma weight residual
False -2.50 2.12 -4.62 2.00e-01 2.50e+01 5.33e+02
chirality pdb="C3' A E 185 "
pdb="C4' A E 185 "
pdb="O3' A E 185 "
pdb="C2' A E 185 "
both_signs ideal model delta sigma weight residual
False -2.48 1.98 -4.46 2.00e-01 2.50e+01 4.98e+02
chirality pdb="C1' G E 202 "
pdb="O4' G E 202 "
pdb="C2' G E 202 "
pdb="N9 G E 202 "
both_signs ideal model delta sigma weight residual
False 2.46 -1.46 3.91 2.00e-01 2.50e+01 3.83e+02
... (remaining 1312 not shown)

Planarity restraints: 263
Sorted by residual:
delta sigma weight rms_deltas residual
plane pdb="C1' A E 185 " 0.038 2.00e-02 2.50e+03 2.70e-02 2.00e+01
pdb="N9 A E 185 " -0.072 2.00e-02 2.50e+03
pdb="C8 A E 185 " 0.026 2.00e-02 2.50e+03
pdb="N7 A E 185 " -0.005 2.00e-02 2.50e+03
pdb="C5 A E 185 " 0.018 2.00e-02 2.50e+03
pdb="C6 A E 185 " -0.012 2.00e-02 2.50e+03
pdb="N6 A E 185 " 0.007 2.00e-02 2.50e+03
pdb="N1 A E 185 " 0.004 2.00e-02 2.50e+03
pdb="C2 A E 185 " 0.000 2.00e-02 2.50e+03
pdb="N3 A E 185 " 0.004 2.00e-02 2.50e+03
pdb="C4 A E 185 " -0.009 2.00e-02 2.50e+03
delta sigma weight rms_deltas residual
plane pdb="C1' C E 187 " -0.042 2.00e-02 2.50e+03 2.92e-02 1.92e+01
pdb="N1 C E 187 " -0.004 2.00e-02 2.50e+03
pdb="C2 C E 187 " 0.055 2.00e-02 2.50e+03
pdb="O2 C E 187 " 0.011 2.00e-02 2.50e+03
pdb="N3 C E 187 " -0.029 2.00e-02 2.50e+03
pdb="C4 C E 187 " -0.016 2.00e-02 2.50e+03
pdb="N4 C E 187 " -0.015 2.00e-02 2.50e+03
pdb="C5 C E 187 " 0.038 2.00e-02 2.50e+03
pdb="C6 C E 187 " 0.001 2.00e-02 2.50e+03
delta sigma weight rms_deltas residual
plane pdb="C1' A E 175 " 0.050 2.00e-02 2.50e+03 2.07e-02 1.18e+01
pdb="N9 A E 175 " -0.033 2.00e-02 2.50e+03
pdb="C8 A E 175 " -0.016 2.00e-02 2.50e+03
pdb="N7 A E 175 " 0.000 2.00e-02 2.50e+03
pdb="C5 A E 175 " -0.005 2.00e-02 2.50e+03
pdb="C6 A E 175 " 0.010 2.00e-02 2.50e+03
pdb="N6 A E 175 " 0.017 2.00e-02 2.50e+03
pdb="N1 A E 175 " 0.002 2.00e-02 2.50e+03
pdb="C2 A E 175 " -0.001 2.00e-02 2.50e+03
pdb="N3 A E 175 " -0.023 2.00e-02 2.50e+03
pdb="C4 A E 175 " -0.000 2.00e-02 2.50e+03
... (remaining 260 not shown)

Histogram of nonbonded interaction distances:
1.66 - 2.31: 75
2.31 - 2.96: 3276
2.96 - 3.60: 11135
3.60 - 4.25: 15110
4.25 - 4.90: 21184
Nonbonded interactions: 50780
Sorted by model distance:
nonbonded pdb="O5' G E 156 "
pdb="N3 C E 179 "
model vdw
1.661 3.120
nonbonded pdb="N9 A E 185 "
pdb="N3 C E 187 "
model vdw
1.662 3.200
nonbonded pdb="N3 U B 100 "
pdb="O5' G B 102 "
model vdw
1.675 3.120
nonbonded pdb="N1 A E 165 "
pdb="O5' A E 185 "
model vdw
1.696 3.120
nonbonded pdb="O5' G E 156 "
pdb="C2 C E 179 "
model vdw
1.713 3.260
... (remaining 50775 not shown)

NOTE: a complete listing of the restraints can be obtained by requesting
output of .geo file.
Find NCS groups from input model
Time spend for trying shortcut: 0.00
========== WARNING! ============

No NCS relation were found !!!

================================

Found NCS groups:
found none.
Set up NCS constraints
No NCS constraints will be used in refinement.
Set refine NCS operators
Adjust number of macro_cycles
Number of macro_cycles: 5
Reset NCS operators
Extract rigid body selections
Check and reset occupancies
Occupancies: min=1.00 max=1.00 mean=1.00
cos tables
Set ADP refinement strategy
ADPs will be refined as group one per residue
Make a string to write initial .geo file
Internal consistency checks
Time:
Set random seed: 0.000
Set model cs if undefined: 0.000
Decide on map wrapping: 0.000
Normalize map: mean=0, sd=1: 0.850
Set stop_for_unknowns flag: 0.000
Assert model is a single copy model: 0.000
Assert all atoms have isotropic ADPs: 0.000
Construct map_model_manager: 0.000
Extract box with map and model: 0.080
Check model and map are aligned: 0.010
Set scattering table: 0.010
Process input model: 4.280
Find NCS groups from input model: 0.010
Set up NCS constraints: 0.010
Set refine NCS operators: 0.000
Adjust number of macro_cycles: 0.000
Reset NCS operators: 0.000
Extract rigid body selections: 0.000
Check and reset occupancies: 0.000
cos tables:0.810
Set ADP refinement strategy: 0.000
Make a string to write initial .geo file:2.850
Internal consistency checks: 0.000
Total: 8.910
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7051
moved from start: 0.0000

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.037 1.386 6312 Z= 2.099
Angle : 4.478 64.235 9609 Z= 1.699
Chirality : 0.312 4.616 1315
Planarity : 0.007 0.029 263
Dihedral : 36.770 179.394 3735
Min Nonbonded Distance : 1.661

Molprobity Statistics.
All-atom Clashscore : 45.36
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03679 ( 6312)
covalent geometry : angle 4.47831 ( 9609)
hydrogen bonds : bond 0.31688 ( 28)
hydrogen bonds : angle 37.74349 ( 8)

*********************** REFINEMENT MACRO_CYCLE 1 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.058
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0445
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.061
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 12 optimal weight: 7.9990
chunk 13 optimal weight: 6.9990
chunk 1 optimal weight: 7.9990
chunk 8 optimal weight: 0.8980
chunk 16 optimal weight: 5.9990
chunk 15 optimal weight: 8.9990
chunk 9 optimal weight: 5.9990
chunk 11 optimal weight: 3.9990
chunk 18 optimal weight: 5.9990
chunk 6 optimal weight: 7.9990
chunk 4 optimal weight: 0.8980
overall best weight: 3.5586

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4412 r_free = 0.4412 target = 0.141376 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 57)----------------|
| r_work = 0.3999 r_free = 0.3999 target = 0.100512 restraints weight = 61984.018|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 57)----------------|
| r_work = 0.4004 r_free = 0.4004 target = 0.100300 restraints weight = 49618.886|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 26)----------------|
| r_work = 0.4014 r_free = 0.4014 target = 0.100701 restraints weight = 41546.226|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 26)----------------|
| r_work = 0.4026 r_free = 0.4026 target = 0.101558 restraints weight = 37323.156|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 22)----------------|
| r_work = 0.4026 r_free = 0.4026 target = 0.101558 restraints weight = 34692.353|
|-----------------------------------------------------------------------------|
r_work (final): 0.3840
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7130
moved from start: 0.3729

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.484 6312 Z= 1.717
Angle : 3.705 65.032 9609 Z= 1.416
Chirality : 0.333 3.973 1315
Planarity : 0.007 0.022 263
Dihedral : 36.194 179.231 3735
Min Nonbonded Distance : 1.680

Molprobity Statistics.
All-atom Clashscore : 46.94
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03201 ( 6312)
covalent geometry : angle 3.70482 ( 9609)
hydrogen bonds : bond 0.36778 ( 28)
hydrogen bonds : angle 12.87382 ( 8)

*********************** REFINEMENT MACRO_CYCLE 2 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.043
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0445
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.035
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 20 optimal weight: 9.9990
chunk 10 optimal weight: 5.9990
chunk 2 optimal weight: 2.9990
chunk 11 optimal weight: 4.9990
chunk 0 optimal weight: 8.9990
chunk 14 optimal weight: 5.9990
chunk 19 optimal weight: 9.9990
chunk 5 optimal weight: 3.9990
chunk 9 optimal weight: 5.9990
chunk 22 optimal weight: 5.9990
chunk 8 optimal weight: 1.9990
overall best weight: 3.9990

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4362 r_free = 0.4362 target = 0.137666 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 52)----------------|
| r_work = 0.3942 r_free = 0.3942 target = 0.097831 restraints weight = 60619.480|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 37)----------------|
| r_work = 0.3970 r_free = 0.3970 target = 0.098179 restraints weight = 48118.262|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 23)----------------|
| r_work = 0.3972 r_free = 0.3972 target = 0.098506 restraints weight = 40324.214|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 80)----------------|
| r_work = 0.3953 r_free = 0.3953 target = 0.097633 restraints weight = 37033.635|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 27)----------------|
| r_work = 0.3959 r_free = 0.3959 target = 0.097843 restraints weight = 32819.285|
|-----------------------------------------------------------------------------|
r_work (final): 0.3766
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7237
moved from start: 0.6461

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.485 6312 Z= 1.716
Angle : 3.641 66.370 9609 Z= 1.393
Chirality : 0.333 3.976 1315
Planarity : 0.007 0.021 263
Dihedral : 35.899 175.725 3735
Min Nonbonded Distance : 1.672

Molprobity Statistics.
All-atom Clashscore : 46.94
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03201 ( 6312)
covalent geometry : angle 3.64102 ( 9609)
hydrogen bonds : bond 0.40976 ( 28)
hydrogen bonds : angle 10.90812 ( 8)

*********************** REFINEMENT MACRO_CYCLE 3 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.059
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0851
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.035
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 18 optimal weight: 5.9990
chunk 0 optimal weight: 8.9990
chunk 9 optimal weight: 5.9990
chunk 13 optimal weight: 6.9990
chunk 6 optimal weight: 7.9990
chunk 23 optimal weight: 8.9990
chunk 22 optimal weight: 6.9990
chunk 2 optimal weight: 3.9990
chunk 7 optimal weight: 4.9990
chunk 20 optimal weight: 8.9990
chunk 16 optimal weight: 0.9990
overall best weight: 4.3990

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4226 r_free = 0.4226 target = 0.117856 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 41)----------------|
| r_work = 0.3730 r_free = 0.3730 target = 0.072738 restraints weight = 26324.182|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 26)----------------|
| r_work = 0.3748 r_free = 0.3748 target = 0.073205 restraints weight = 23339.541|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 22)----------------|
| r_work = 0.3748 r_free = 0.3748 target = 0.073205 restraints weight = 20982.479|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 22)----------------|
| r_work = 0.3748 r_free = 0.3748 target = 0.073205 restraints weight = 20982.479|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 22)----------------|
| r_work = 0.3748 r_free = 0.3748 target = 0.073205 restraints weight = 20982.479|
|-----------------------------------------------------------------------------|
r_work (final): 0.3656
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7118
moved from start: 0.9075

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.495 6312 Z= 1.721
Angle : 3.648 66.200 9609 Z= 1.396
Chirality : 0.334 3.882 1315
Planarity : 0.007 0.022 263
Dihedral : 35.753 178.263 3735
Min Nonbonded Distance : 1.680

Molprobity Statistics.
All-atom Clashscore : 48.86
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03209 ( 6312)
covalent geometry : angle 3.64808 ( 9609)
hydrogen bonds : bond 0.45369 ( 28)
hydrogen bonds : angle 12.89038 ( 8)

*********************** REFINEMENT MACRO_CYCLE 4 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.067
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0591
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.034
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 20 optimal weight: 9.9990
chunk 3 optimal weight: 5.9990
chunk 6 optimal weight: 6.9990
chunk 12 optimal weight: 6.9990
chunk 14 optimal weight: 5.9990
chunk 4 optimal weight: 2.9990
chunk 15 optimal weight: 20.0000
chunk 8 optimal weight: 1.9990
chunk 22 optimal weight: 5.9990
chunk 0 optimal weight: 8.9990
chunk 7 optimal weight: 3.9990
overall best weight: 4.1990

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4212 r_free = 0.4212 target = 0.125989 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 43)----------------|
| r_work = 0.3736 r_free = 0.3736 target = 0.073542 restraints weight = 20683.487|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 22)----------------|
| r_work = 0.3736 r_free = 0.3736 target = 0.073542 restraints weight = 20310.701|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 22)----------------|
| r_work = 0.3736 r_free = 0.3736 target = 0.073542 restraints weight = 20310.701|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 22)----------------|
| r_work = 0.3736 r_free = 0.3736 target = 0.073542 restraints weight = 20310.701|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 22)----------------|
| r_work = 0.3736 r_free = 0.3736 target = 0.073542 restraints weight = 20310.701|
|-----------------------------------------------------------------------------|
r_work (final): 0.3657
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7131
moved from start: 1.0433

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.495 6312 Z= 1.716
Angle : 3.638 65.785 9609 Z= 1.393
Chirality : 0.329 3.550 1315
Planarity : 0.007 0.021 263
Dihedral : 35.594 173.390 3735
Min Nonbonded Distance : 1.686

Molprobity Statistics.
All-atom Clashscore : 46.58
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03201 ( 6312)
covalent geometry : angle 3.63761 ( 9609)
hydrogen bonds : bond 0.43495 ( 28)
hydrogen bonds : angle 10.92667 ( 8)

*********************** REFINEMENT MACRO_CYCLE 5 OF 5 *************************

-------------------------------------------------------------------------------
psi targets (oldfield only)
************************************************

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
favored: oldfield
allowed: oldfield
outlier: oldfield

0 Ramachandran restraints generated.
2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.051
Fit side-chains
outliers start: 0
outliers final: 0
residues processed: 0
time to fit residues: 0.0549
Evaluate side-chains
0 residues out of total 0 (non-[ALA,GLY,PRO]) need to be fit.
rotamer outliers: 0
poor density : 0
time to evaluate : 0.043
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
number of chunks: 24
random chunks:
chunk 6 optimal weight: 7.9990
chunk 15 optimal weight: 20.0000
chunk 2 optimal weight: 3.9990
chunk 11 optimal weight: 4.9990
chunk 0 optimal weight: 8.9990
chunk 14 optimal weight: 5.9990
chunk 12 optimal weight: 6.9990
chunk 19 optimal weight: 9.9990
chunk 22 optimal weight: 5.9990
chunk 20 optimal weight: 10.0000
chunk 18 optimal weight: 6.9990
overall best weight: 5.5990

-------------------------------------------------------------------------------
NQH flips
*********
H residues for possible flip corrections...

H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4160 r_free = 0.4160 target = 0.122556 restraints weight = None |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 39)----------------|
| r_work = 0.3705 r_free = 0.3705 target = 0.075220 restraints weight = 19974.535|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3715 r_free = 0.3715 target = 0.072978 restraints weight = 21748.205|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 26)----------------|
| r_work = 0.3680 r_free = 0.3680 target = 0.072260 restraints weight = 23404.896|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 23)----------------|
| r_work = 0.3676 r_free = 0.3676 target = 0.072122 restraints weight = 24397.770|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 23)----------------|
| r_work = 0.3679 r_free = 0.3679 target = 0.072075 restraints weight = 23310.656|
|-----------------------------------------------------------------------------|
r_work (final): 0.3596
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7215
moved from start: 1.1866

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
Bond : 0.032 0.502 6312 Z= 1.737
Angle : 3.725 65.972 9609 Z= 1.440
Chirality : 0.319 2.248 1315
Planarity : 0.008 0.023 263
Dihedral : 35.863 170.443 3735
Min Nonbonded Distance : 1.677

Molprobity Statistics.
All-atom Clashscore : 57.44
Ramachandran Plot:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Rotamer:
Outliers : 0.00 %
Allowed : 0.00 %
Favored : 0.00 %
Cbeta Deviations : 0.00 %
Peptide Plane:
Cis-proline : 0.00 %
Cis-general : 0.00 %
Twisted Proline : 0.00 %
Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they are not related in a simple way.
whole: None (None), residues: 0
helix: None (None), residues: 0
sheet: None (None), residues: 0
loop : None (None), residues: 0
Details of bonding type rmsd
covalent geometry : bond 0.03235 ( 6312)
covalent geometry : angle 3.72474 ( 9609)
hydrogen bonds : bond 0.49727 ( 28)
hydrogen bonds : angle 11.70013 ( 8)
Origin is already at (0, 0, 0), no shifts will be applied

===============================================================================
Job complete
usr+sys time: 617.21 seconds
wall clock time: 11 minutes 50.37 seconds (710.37 seconds total)
[140.47581010174372, 145.71127945170892, 142.30599490024963] updated loc: [140.47581010174372, 145.71127945170892, 142.30599490024963]
previous loc [124.9977646132167, 153.0094854778046, 150.99493775336973] updated loc: [127.39634777871929, 153.8220413162863, 148.57128411337234]
previous loc [136.8700925264512, 151.0656277671764, 171.76165113289764] updated loc: [133.93464208762387, 149.66516421130527, 171.27970624440576]
previous loc [134.3445939897702, 174.4012021944047, 173.29869530885148] updated loc: [137.3198825695268, 172.95055397362867, 172.75920207230524]
31 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 54 to 54 frag info
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 2
use pho situation 7
use pho situation 6
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 9
31 atomic build upon pho atoms
90 pho positions in atomic
90 pho positions in atomic
{3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 90, 91}
previous loc [135.46930879533127, 154.34957103842686, 83.0011806995016] updated loc: [140.69680285771432, 151.6210892072355, 77.95569176189497]
previous loc [126.00504413380419, 173.08741860737103, 82.39416992440565] updated loc: [125.54482075296669, 171.3890694543613, 81.37834633168153]
previous loc [132.4664928719946, 174.23815419847625, 89.27789794978275] updated loc: [126.00504413380419, 173.08741860737103, 82.39416992440565]
previous loc [132.4664928719946, 174.23815419847625, 89.27789794978275] updated loc: [129.03040597641575, 174.96066725285388, 86.96001484403911]
previous loc [128.86734380306686, 182.1221792392093, 72.87164546140978] updated loc: [129.1021363335462, 183.4194634678288, 78.67721392565645]
previous loc [133.07889729483114, 174.28674569473242, 77.92907288273462] updated loc: [128.86734380306686, 182.1221792392093, 72.87164546140978]
previous loc [128.16334835759505, 166.71278719326367, 73.36779990655826] updated loc: [130.13374370969035, 172.2255863293663, 77.76915431969891]
previous loc [133.26660765438274, 166.73136416847134, 74.82458851593235] updated loc: [128.55075041479517, 169.7187140619098, 75.62006198073266]
previous loc [131.8331848140963, 157.98958613188572, 67.55668239709625] updated loc: [129.99026026001516, 163.00787720579692, 70.02124269860516]
previous loc [144.5265976141203, 176.1551814580836, 79.27067917645223] updated loc: [140.2792717786765, 170.54165102211388, 77.65160031199261]
previous loc [145.0194514538508, 182.0028733455104, 74.01214590010183] updated loc: [144.5265976141203, 176.1551814580836, 79.27067917645223]
previous loc [142.8767396370553, 181.711119001875, 70.7580125536644] updated loc: [145.0194514538508, 182.0028733455104, 74.01214590010183]
previous loc [131.3246339353891, 185.7959951625052, 72.63270978973823] updated loc: [142.8767396370553, 181.711119001875, 70.7580125536644]
previous loc [135.18094743965887, 190.29237575299837, 74.5868372520942] updated loc: [131.3246339353891, 185.7959951625052, 72.63270978973823]
previous loc [142.8007949233131, 189.20767194004208, 71.36520980720148] updated loc: [140.79276753070374, 187.87379876947693, 70.76821769455245]
previous loc [145.8545894537606, 188.49526579372872, 76.6557785589932] updated loc: [142.8007949233131, 189.20767194004208, 71.36520980720148]
previous loc [145.8545894537606, 188.49526579372872, 76.6557785589932] updated loc: [145.8545894537606, 188.49526579372872, 76.6557785589932]
previous loc [146.01327942899468, 185.97577823939267, 78.00249075232813] updated loc: [145.93131634113033, 190.19539696158304, 73.80202588133439]
previous loc [146.01327942899468, 185.97577823939267, 78.00249075232813] updated loc: [146.01327942899468, 185.97577823939267, 78.00249075232813]
previous loc [142.49265464934243, 175.09721154740527, 85.9400232031985] updated loc: [139.00474061901483, 183.00834855372713, 82.00249612806319]
previous loc [137.655559224849, 161.13213360392123, 85.81178760410315] updated loc: [140.40039423001969, 169.91480397736171, 89.20701751601148]
previous loc [121.57179137011273, 154.6534430452572, 80.05654734343608] updated loc: [127.18307245413891, 158.47032786216943, 84.87272496515433]
previous loc [122.48901255977334, 151.99736728003555, 77.8909054314964] updated loc: [121.57179137011273, 154.6534430452572, 80.05654734343608]
previous loc [122.98505206694287, 145.98276643294466, 77.00536773385616] updated loc: [122.48901255977334, 151.99736728003555, 77.8909054314964]
previous loc [128.2293543381064, 139.87006337292004, 77.47537437294966] updated loc: [124.30752836508513, 143.5040463948302, 76.72896031296605]
previous loc [125.4763243291533, 150.31997853971967, 92.77249874604216] updated loc: [128.7390429932936, 150.8928812838344, 90.91755383782179]
previous loc [120.90165361680296, 133.8874509529738, 88.76097296860367] updated loc: [120.7598011831787, 138.93215237870982, 88.41784289071761]
previous loc [128.0141018340732, 124.97374788532744, 104.9966074706189] updated loc: [123.15844796092959, 124.95867201463507, 99.44833659783873]
previous loc [131.442449599513, 131.397361682156, 109.73648413406629] updated loc: [128.0141018340732, 124.97374788532744, 104.9966074706189]
previous loc [133.01564192079704, 128.0012229254586, 123.0006532105905] updated loc: [128.87020684771858, 123.21145669787133, 122.12049289009605]
previous loc [123.4884000136334, 146.14189986794165, 134.3864102466972] updated loc: [127.7439518244948, 145.790843915441, 129.46352489430416]
previous loc [120.98018364794422, 142.9723025882571, 140.71939727943288] updated loc: [123.4884000136334, 146.14189986794165, 134.3864102466972]
previous loc [121.31076836587813, 140.73068699602808, 143.09608479842862] updated loc: [120.98018364794422, 142.9723025882571, 140.71939727943288]
previous loc [124.67327831774685, 135.49043159207662, 148.9164643834061] updated loc: [122.05955963418647, 139.1008352620374, 145.43362271968846]
previous loc [139.8632893197205, 142.31551078186695, 157.97417958174853] updated loc: [134.4796379504864, 137.62814630045082, 157.2176785941009]
previous loc [142.86248919392082, 148.0684277090504, 156.57296315660622] updated loc: [139.8632893197205, 142.31551078186695, 157.97417958174853]
previous loc [142.24411610277082, 154.6868107229214, 156.21274134854923] updated loc: [142.86248919392082, 148.0684277090504, 156.57296315660622]
previous loc [130.91224433231588, 163.03451173914777, 157.76094579524067] updated loc: [140.06735352830947, 157.37345626099042, 156.26376010096362]
previous loc [128.70757421198712, 165.44782091524218, 163.63100192967747] updated loc: [130.91224433231588, 163.03451173914777, 157.76094579524067]
previous loc [123.0001973164213, 160.76056203427495, 168.74760365126076] updated loc: [123.9171339543405, 162.53955269675495, 165.28920875031082]
previous loc [126.14903163185036, 160.16966636031762, 178.5144500103659] updated loc: [124.42040249079648, 161.2416181397464, 175.03636814457965]
previous loc [134.93761558204136, 161.12879681103905, 183.76701715475204] updated loc: [126.14903163185036, 160.16966636031762, 178.5144500103659]
90 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 137 to 136 frag info
Reflection detected
Reflection detected
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
use pho situation 6
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
use pho situation 6
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 2
use pho situation 5
Reflection detected
use pho situation 2
use pho situation 7
use pho situation 6
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 2
use pho situation 5
use pho situation 2
Reflection detected
use pho situation 7
use pho situation 6
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 1
use pho situation 1
use pho situation 2
Reflection detected
use pho situation 5
use pho situation 1
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
Reflection detected
use pho situation 1
use pho situation 3
90 atomic build upon pho atoms
5 pho positions in atomic
5 pho positions in atomic
{3, 4, 5, 6}
previous loc [226.00777019467827, 130.85054467693354, 191.31641164973135] updated loc: [231.00259232546986, 132.52093108025744, 199.20817489136144]
previous loc [226.15007898294635, 130.46047457921316, 196.09959828743015] updated loc: [226.00777019467827, 130.85054467693354, 191.31641164973135]
previous loc [226.15007898294635, 130.46047457921316, 196.09959828743015] updated loc: [226.00777019467827, 130.85054467693354, 191.31641164973135]
5 pho positions in atomic
round 2 we still put 1 points into clear set
clearning changed 8 to 7 frag info
use pho situation 6
use pho situation 2
Reflection detected
use pho situation 5
Reflection detected
use pho situation 4
Reflection detected
5 atomic build upon pho atoms
12 pho positions in atomic
12 pho positions in atomic
{3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13}
previous loc [130.01888977122348, 141.23690632314225, 102.03565124787748] updated loc: [135.37512905419783, 136.98185798615293, 95.33383979948592]
previous loc [124.35383782566664, 141.26040798897222, 103.72989881951382] updated loc: [127.521218496175, 141.52134851299814, 102.70852785190675]
previous loc [114.67218002970642, 124.28762567008009, 113.1793802099788] updated loc: [112.52228448365945, 132.76723651228073, 106.08431080183547]
previous loc [114.67218002970642, 124.28762567008009, 113.1793802099788] updated loc: [114.67218002970642, 124.28762567008009, 113.1793802099788]
previous loc [123.73614466503926, 122.25961994305447, 120.85588561741987] updated loc: [116.07251645355846, 123.37561996985059, 116.49206633081616]
12 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 17 to 17 frag info
use pho situation 8
use pho situation 1
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
Reflection detected
use pho situation 2
use pho situation 7
Reflection detected
use pho situation 6
use pho situation 1
use pho situation 3
Reflection detected
12 atomic build upon pho atoms
5 pho positions in atomic
5 pho positions in atomic
{2, 3, 4, 5, 6}
5 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 6 to 6 frag info
use pho situation 2
use pho situation 7
Reflection detected
Reflection detected
Reflection detected
Reflection detected
5 atomic build upon pho atoms
4 pho positions in atomic
4 pho positions in atomic
{3, 4, 5}
4 pho positions in atomic
round 2 we still put 0 points into clear set
clearning changed 5 to 5 frag info
use pho situation 2
Reflection detected
use pho situation 7
Reflection detected
Reflection detected
4 atomic build upon pho atoms
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
remain waiting assign chain number 51
Origin: (0., 0., 0.)
Previous voxel size: (1., 1., 1.)
nx, ny, nz 297 297 297
nxs,nys,nzs 0 0 0
mx,my,mz 297 297 297
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.0545036643743515
dmax : 0.13173983991146088
dmean : 0.000728504965081811
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.00577242998406291
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 01:58:55 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
nx : 297
ny : 297
nz : 297
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 297
my : 297
mz : 297
cella : (297., 297., 297.)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : 0.0
dmax : 0.1203082948923111
dmean : 0.0001257838448509574
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.0023517892695963383
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 04:43:15 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
Output existed
Refine_cycle3.pdb
Output
existed
nx : 280
ny : 280
nz : 280
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 280
my : 280
mz : 280
cella : (299.6, 299.6, 299.6)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.059426698833703995
dmax : 0.13698333501815796
dmean : 0.0007276689866557717
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 0
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 65 0 0]
rms : 0.00600543012842536
nlabl : 1
label : [b'::::EMDATABANK.org::::EMD-20031:::: '
b' '
b' '
b' '
b' '
b' '
b' '
b' '
b' '
b' ']
nx : 280
ny : 280
nz : 280
mode : 2
nxstart : 0
nystart : 0
nzstart : 0
mx : 280
my : 280
mz : 280
cella : (299.6, 299.6, 299.6)
cellb : (90., 90., 90.)
mapc : 1
mapr : 2
maps : 3
dmin : -0.059426698833703995
dmax : 0.13698333501815796
dmean : 0.000727668113540858
ispg : 1
nsymbt : 0
extra1 : b'\x00\x00\x00\x00\x00\x00\x00\x00'
exttyp : b''
nversion : 20141
extra2 : b'\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00'
origin : (0., 0., 0.)
map : b'MAP '
machst : [68 68 0 0]
rms : 0.006005430594086647
nlabl : 1
label : [b'Created by mrcfile.py 2026-06-01 03:57:43 '
b'' b'' b'' b'' b'' b'' b'' b'' b'']
input_complex_unified.mrc is a valid MRC2014 file...
File appears to be valid.
GPU reform failed, falling back to CPU
Previous shape (ZYX): torch.Size([1, 1, 280, 280, 280])
Previous voxel size (ZXY): [1.07 1.07 1.07]
New grid size (ZYX): [299 299 299]
read chain info from fasta: defaultdict(<class 'list'>, {'A,C': ['M', 'A', 'A', 'S', 'L', 'P', 'S', 'T', 'L', 'S', 'F', 'S', 'S', 'A', 'P', 'D', 'E', 'I', 'Q', 'H', 'P', 'Q', 'I', 'K', 'F', 'S', 'E', 'W', 'K', 'F', 'K', 'L', 'F', 'R', 'V', 'R', 'S', 'F', 'E', 'K', 'A', 'P', 'E', 'E', 'A', 'Q', 'K', 'E', 'K', 'D', 'S', 'S', 'E', 'G', 'K', 'P', 'Y', 'L', 'E', 'Q', 'S', 'P', 'V', 'V', 'P', 'E', 'K', 'P', 'G', 'G', 'Q', 'N', 'S', 'I', 'L', 'T', 'Q', 'R', 'A', 'L', 'K', 'L', 'H', 'P', 'K', 'F', 'S', 'K', 'K', 'F', 'H', 'A', 'D', 'G', 'K', 'S', 'S', 'D', 'K', 'A', 'V', 'H', 'Q', 'A', 'R', 'L', 'R', 'H', 'F', 'C', 'R', 'I', 'C', 'G', 'N', 'R', 'F', 'K', 'S', 'D', 'G', 'H', 'S', 'R', 'R', 'Y', 'P', 'V', 'H', 'G', 'P', 'V', 'D', 'A', 'K', 'T', 'Q', 'S', 'L', 'F', 'R', 'K', 'K', 'E', 'K', 'R', 'V', 'T', 'S', 'W', 'P', 'D', 'L', 'I', 'A', 'R', 'I', 'F', 'R', 'I', 'D', 'V', 'K', 'A', 'D', 'V', 'D', 'S', 'I', 'H', 'P', 'T', 'E', 'F', 'C', 'H', 'D', 'C', 'W', 'S', 'I', 'M', 'H', 'R', 'K', 'F', 'S', 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'L', 'K', 'H', 'H', 'W', 'L', 'Y', 'T', 'S', 'K', 'Y', 'L', 'Q', 'K', 'F', 'M', 'N', 'A', 'H', 'N', 'A', 'L', 'K', 'S', 'S', 'G', 'F', 'T', 'M', 'N', 'S', 'K', 'E', 'T', 'L', 'G', 'D', 'P', 'L', 'G', 'I', 'E', 'D', 'S', 'L', 'E', 'S', 'Q', 'D', 'S', 'M', 'E', 'F'], 'B,D': ['M', 'S', 'L', 'Q', 'M', 'V', 'T', 'V', 'G', 'H', 'N', 'I', 'A', 'L', 'I', 'Q', 'P', 'G', 'F', 'S', 'L', 'M', 'N', 'F', 'D', 'G', 'Q', 'V', 'F', 'F', 'F', 'G', 'Q', 'K', 'G', 'W', 'P', 'K', 'R', 'S', 'C', 'P', 'T', 'G', 'V', 'F', 'H', 'F', 'D', 'I', 'K', 'Q', 'N', 'H', 'L', 'K', 'L', 'K', 'P', 'A', 'I', 'F', 'S', 'K', 'D', 'S', 'C', 'Y', 'L', 'P', 'P', 'L', 'R', 'Y', 'P', 'A', 'T', 'C', 'S', 'Y', 'K', 'G', 'S', 'I', 'D', 'S', 'D', 'K', 'H', 'Q', 'Y', 'I', 'I', 'H', 'G', 'G', 'K', 'T', 'P', 'N', 'N', 'E', 'L', 'S', 'D', 'K', 'I', 'Y', 'I', 'M', 'S', 'V', 'A', 'C', 'K', 'N', 'N', 'K', 'K', 'V', 'T', 'F', 'R', 'C', 'T', 'E', 'K', 'D', 'L', 'V', 'G', 'D', 'V', 'P', 'E', 'P', 'R', 'Y', 'G', 'H', 'S', 'I', 'D', 'V', 'V', 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'A', 'F', 'F', 'V', 'Q', 'T', 'C', 'R', 'E', 'E', 'H', 'K', 'K', 'K', 'H', 'P', 'D', 'A', 'S', 'V', 'N', 'F', 'S', 'E', 'F', 'S', 'K', 'K', 'C', 'S', 'E', 'R', 'W', 'K', 'T', 'M', 'S', 'A', 'K', 'E', 'K', 'G', 'K', 'F', 'E', 'D', 'M', 'A', 'K', 'A', 'D', 'K', 'A', 'R', 'Y', 'E', 'R', 'E', 'M', 'K', 'T', 'Y', 'I', 'P', 'P', 'K', 'G', 'E', 'T', 'K', 'K', 'K', 'F', 'K', 'D', 'P', 'N', 'A', 'P', 'K', 'R', 'P', 'P', 'S', 'A', 'F', 'F', 'L', 'F', 'C', 'S', 'E', 'Y', 'R', 'P', 'K', 'I', 'K', 'G', 'E', 'H', 'P', 'G', 'L', 'S', 'I', 'G', 'D', 'V', 'A', 'K', 'K', 'L', 'G', 'E', 'M', 'W', 'N', 'N', 'T', 'A', 'A', 'D', 'D', 'K', 'Q', 'P', 'Y', 'E', 'K', 'K', 'A', 'A', 'K', 'L', 'K', 'E', 'K', 'Y', 'E', 'K', 'D', 'I', 'A', 'A', 'Y', 'R'], 'G': ['C', 'G', 'G', 'G', 'T', 'T', 'T', 'T', 'T', 'G', 'T', 'C', 'T', 'G', 'G', 'C', 'T', 'T', 'C', 'A', 'C', 'A', 'C', 'T', 'T', 'G', 'A', 'T', 'T', 'T', 'G', 'C', 'A', 'T', 'C', 'A', 'C', 'T', 'G', 'T', 'G', 'T', 'A', 'A', 'G', 'A', 'C', 'A', 'G', 'G', 'C', 'C', 'A', 'G', 'A', 'T', 'C', 'C', 'A', 'G', 'G'], 'I': ['C', 'C', 'T', 'G', 'G', 'A', 'T', 'C', 'T', 'G', 'G', 'C', 'C', 'T', 'G', 'T', 'C', 'T', 'T', 'A', 'C', 'A', 'C', 'A', 'G', 'T', 'G', 'A', 'T', 'A', 'C', 'A', 'G', 'C', 'C', 'C', 'T', 'T', 'A', 'A', 'C', 'A', 'A', 'A', 'A', 'A', 'C', 'C', 'C', 'G'], 'F': ['C', 'G', 'G', 'G', 'T', 'T', 'T', 'T', 'T', 'G', 'T', 'T', 'A', 'A', 'G', 'G', 'G', 'C', 'T', 'G', 'T', 'A', 'T', 'C', 'A', 'C', 'T', 'G', 'T', 'G', 'T', 'A', 'A', 'G', 'A', 'C', 'A', 'G', 'G', 'C', 'C', 'A', 'G', 'A', 'T', 'C', 'C', 'A', 'G', 'G'], 'J': ['C', 'C', 'T', 'G', 'G', 'A', 'T', 'C', 'T', 'G', 'G', 'C', 'C', 'T', 'G', 'T', 'C', 'T', 'T', 'A', 'C', 'A', 'C', 'A', 'G', 'T', 'G', 'A', 'T', 'G', 'C', 'A', 'A', 'A', 'T', 'C', 'A', 'A', 'G', 'T', 'G', 'T', 'G', 'A', 'A', 'G', 'C', 'C', 'A', 'G', 'A', 'C', 'A', 'A', 'A', 'A', 'A', 'C', 'C', 'C', 'G']})
ComplexModeler.cif
ComplexModeler_fitscore.cif
ComplexModeler.cif, Enjoy!
INFO : ComplexModeler Prediction Done