ComplexModeler

ComplexModeler is a computational tool combines DiffModeler(seq) and CryoREAD to automatically build full protein-DNA/RNA complex structure from cryo-EM maps at 0-5A resolution (5-10 may work but DNA/RNA region will be bad).

If encounter problems, please contact Daisuke Kihara (dkihara@purdue.edu), Xiao Wang (xiaowang20140001@gmail.com) or Han Zhu (zhu773@purdue.edu).


Example EMD-
Input Map file:20031.mrc

Input Sequence:20031.fasta

Contour level:0.03

Resolution:4.3

Result Example:Result Example


Please simply click "Schedule Job" when you filled all input fields.

Contour level for input map, suggested [author_contour]. Please do not input 0, you must provide a contour to remove the outside very noisy regions.


Please make sure your contour level is lower than your focused region. This is absolute density threshold, not standard deviation.




Resolution information is needed for refinement in our refinement pipeline







Please Please use a sequence file with fasta format. Each chain must have a ID line (begin with a carat (">")) and a SEQUENCE line.

For ID line, please only include the chain id without any other information. If multiple chains include the identical sequences, please use comma "," to split different chains.

Example Sequence ID line
>A,B,C,D
MATPAGRRASETERLLTPNPGYGTQVGTSPAPTTPTEEEDLRR
>E,F
VVTFREENTIAFRHLFLLGYSDGSDDTFAAYTQEQLYQ

which indicates 6 chains with A,B,C,D share the identical sequences and E,F share another identical sequences.


Here the protein sequence is required (can be partial) and DNA/RNA sequence is optional