Emap2lig-Build is the second stage of the Emap2lig framework that takes ligands and uses a diffusion model to generate 3D atomic structures within the detected blob areas.
If encounter problems, please contact Daisuke Kihara (dkihara@purdue.edu) or Shu Li (li3916@purdue.edu) or Anika Jain (anikajain33@gmail.com)
Example EMD-30556
Input Map file: 30556.mrc
Emap2lig-Find input: 14a2b336c05ba5ae80cb195619ac2d55
Input Ligand file: 30556.yaml
Emap2lig-Build Result: Example Result
Enter a completed Emap2lig-Find Job ID to preview its detected blobs and input map.
If you haven't run Emap2lig-Find yet, you can do so from the Emap2lig-Find algorithm page.
Specify the ligand(s) to fit into the density blobs detected by Emap2lig-Find.
In Global mode, the same ligand(s) are applied to all blobs.
In Per-Blob mode, you can assign a different ligand to each blob individually.
Ligands can be entered as a CCD code (e.g. ATP), a SMILES string, or a branched residue chain.
Name (optional)
Residues
Bonds (between residues)
No bonds defined. Add at least 2 residues to define bonds.
Load a Find Job ID in the visualizer below first — blobs will appear here automatically.
For multiplicity, choose the number of conformers per ligand-blob pair
0/500
This note will help you distinguish jobs later.
