Skip to content
Snippets Groups Projects
Commit 79ccf5b5 authored by B13nch3n's avatar B13nch3n
Browse files

Add proper struct.pdbx_description

parent e91ee7e7
No related branches found
No related tags found
No related merge requests found
......@@ -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(
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment