ADP statistics. failed. /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6gyo_0094/05_2022/6gyo_0094.pdb /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6gyo_0094/05_2022/6gyo_0094.map 3.4 Traceback (most recent call last): File "/net/marbles/raid1/dorothee/rerefine/cryoem/rerefine_script.py", line 931, in get_composition adp_result = model.adp_statistics().result() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4597/modules/cctbx_project/mmtbx/model/model.py", line 3825, in adp_statistics xray_structure = self.get_xray_structure(), File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4597/modules/cctbx_project/mmtbx/model/model.py", line 466, in get_xray_structure crystal_symmetry = cs) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4597/modules/cctbx_project/iotbx/pdb/hierarchy.py", line 793, in extract_xray_structure return self.as_pdb_input(crystal_symmetry).xray_structure_simple() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4597/modules/cctbx_project/iotbx/pdb/__init__.py", line 998, in xray_structure_simple atom_names_scattering_type_const=atom_names_scattering_type_const)[0] File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4597/modules/cctbx_project/iotbx/pdb/__init__.py", line 1086, in xray_structures_simple raise Sorry(str(e)) Sorry: Unknown chemical element type: "HETATM16526 UNK UNX A 802 .*. X " To resolve this problem, specify a chemical element type in columns 77-78 of the PDB file, right justified (e.g. " C").