diff --git a/translate2modelcif.py b/translate2modelcif.py index 892077961cfe401217c88ecf34a81b0db6109d63..cb281820bcbcc348ba8841cc200cd0720df9da6c 100644 --- a/translate2modelcif.py +++ b/translate2modelcif.py @@ -445,6 +445,7 @@ def _get_entities(pdb_file, up_acs): upkb = _get_upkb_for_sequence(sqe, up_acs[i]) cif_ent["pdb_sequence"] = sqe cif_ent["pdb_chain_id"] = chn.name + cif_ent["description"] = f"Model of {upkb['up_gn']} ({upkb['up_ac']})" cif_ent.update(upkb) entities.append(cif_ent) @@ -463,10 +464,9 @@ def _get_scores(data, prfx): def _get_modelcif_entities(target_ents, source, asym_units, system): """Create ModelCIF entities and asymmetric units.""" for cif_ent in target_ents: - # ToDo [input]: Get entity description mdlcif_ent = modelcif.Entity( cif_ent["pdb_sequence"], - description="entity.pdbx_description", + description=cif_ent["description"], source=source, references=[ modelcif.reference.UniProt(