diff --git a/translate2modelcif.py b/translate2modelcif.py index cb281820bcbcc348ba8841cc200cd0720df9da6c..66de8c134a66fa83400526e20b47a517a07b658a 100644 --- a/translate2modelcif.py +++ b/translate2modelcif.py @@ -306,6 +306,12 @@ def _get_model_details(gene_names): ) +def _get_model_group_name(): + """Get a name for a model group.""" + + return "Crosslinked Heterodimer Multimer v2 Models" + + def _get_sequence(chn): """Get the sequence out of an OST chain.""" # initialise @@ -595,7 +601,7 @@ def _store_as_modelcif(interaction_name, data_json, ost_ent, file_prfx): # ToDo [input]: Get name model_group = modelcif.model.ModelGroup( - [model], name="ma_model_list.model_group_name" + [model], name=data_json["model_group_name"] ) system.model_groups.append(model_group) @@ -632,6 +638,7 @@ def _create_model_json(data, pdb_file, up_acs): gns.append(i["up_gn"]) data["title"] = _get_title(gns) data["model_details"] = _get_model_details(gns) + data["model_group_name"] = _get_model_group_name() return ost_ent