Conversation
|
/nvskills-ci |
|
|
/nvskills-ci |
Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
|
/nvskills-ci |
|
/nvskills-ci |
Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
|
/nvskills-ci |
| model, chain, hs = _pdb_target(structure, chain) | ||
| rep["pdb"] = spec.get("pdb") | ||
| rep["chain"] = chain | ||
| rep["topology"] = f"PDB author chain {chain}; accessibility not annotated" | ||
| rep["uniprot_messages"] = ([] if hs else [ | ||
| "No protein partner contacts found; supply an evidence-based surface patch before generation." | ||
| ]) | ||
| segs, provenance = None, "pdb_interface" if hs else "none" | ||
| full_len = struc.get_residue_count(model) |
There was a problem hiding this comment.
Partner Chains Inflate Target Length
For a multichain PDB or mmCIF, _pdb_target() selects the requested target chain, but plan() assigns the full structure back to model and calculates full_length from every chain. Because PDB inputs then derive conditioned_length from that value, partner chains count against the 500-residue budget. This can incorrectly reject or crop a valid target chain. The mirrored workflow implementation has the same issue.
No description provided.