diff --git a/src/biotite/structure/io/pdbx/convert.py b/src/biotite/structure/io/pdbx/convert.py index 5367c74bd..1da846172 100644 --- a/src/biotite/structure/io/pdbx/convert.py +++ b/src/biotite/structure/io/pdbx/convert.py @@ -836,7 +836,11 @@ def set_structure( ) atom_site["label_comp_id"] = np.copy(array.res_name) atom_site["label_asym_id"] = np.copy(array.chain_id) - atom_site["label_entity_id"] = _determine_entity_id(array.chain_id) + atom_site["label_entity_id"] = ( + np.copy(array.label_entity_id) + if "label_entity_id" in array.get_annotation_categories() + else _determine_entity_id(array.chain_id) + ) atom_site["label_seq_id"] = np.copy(array.res_id) atom_site["pdbx_PDB_ins_code"] = Column( np.copy(array.ins_code),