Add proper struct.pdbx_model_details

translate2modelcif.py

@@ -293,14 +293,17 @@ def _get_protocol_steps_and_software():
 
 def _get_title(gene_names):
     """Get a title for this modelling experiment."""
-    # ToDo [input]: Add title
     return f"Predicted interaction between {' and '.join(gene_names)}"
 
 
-def _get_model_details():
+def _get_model_details(gene_names):
     """Get the model description."""
-    # ToDo [input]: Add model_details
-    return "struct.pdbx_model_details"
+    return (
+        f"Dimer model generated for {' and '.join(gene_names)}, produced "
+        + "using AlphaFold-Multimer (AlphaFold v2.2.0) as implemented by "
+        + "ColabFold (v1.2.0) which uses MMseqs2 for MSA generation (UniRef90 "
+        + "+ Environmental)."
+    )
 
 
 def _get_sequence(chn):
@@ -386,7 +389,7 @@ def _fetch_upkb_entry(up_ac):
                     dt_flds[0], "%d-%b-%Y"
                 )
         elif line.startswith("GN   Name="):
-            data["up_gn"] = line[len("GN   Name="):].split(";")[0]
+            data["up_gn"] = line[len("GN   Name=") :].split(";")[0]
             data["up_gn"] = data["up_gn"].split("{")[0].strip()
 
     # we have not seen isoforms in the data set, yet, so we just set them to '.'
@@ -615,7 +618,6 @@ def _create_interaction_json():
     data = {}
 
     data["audit_authors"] = _get_audit_authors()
-    data["model_details"] = _get_model_details()
 
     return data
 
@@ -629,6 +631,7 @@ def _create_model_json(data, pdb_file, up_acs):
     for i in data["target_entities"]:
         gns.append(i["up_gn"])
     data["title"] = _get_title(gns)
+    data["model_details"] = _get_model_details(gns)
 
     return ost_ent