Statistics: Creating restraints_manager failed. /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6sg9_10175/01_2024/6sg9_10175.pdb /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6sg9_10175/01_2024/6sg9_10175.map 3.1 Traceback (most recent call last): File "/net/marbles/raid1/dorothee/rerefine/cryoem/rerefine_script.py", line 402, in get_statistics checked_model.process(make_restraints=True) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21-5211/modules/cctbx_project/mmtbx/model/model.py", line 1885, in process allow_missing_symmetry = True) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21-5211/modules/cctbx_project/mmtbx/utils/__init__.py", line 287, in process_pdb_files allow_missing_symmetry = allow_missing_symmetry) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21-5211/modules/cctbx_project/mmtbx/utils/__init__.py", line 358, in _process_pdb_file substitute_non_crystallographic_unit_cell_if_necessary=allow_missing_symmetry) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21-5211/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 5779, in __init__ restraints_loading_flags=restraints_loading_flags) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21-5211/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 3362, in __init__ self.counts.raise_duplicate_atom_labels_if_necessary() File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21-5211/modules/cctbx_project/iotbx/pdb/hierarchy.py", line 344, in raise_duplicate_atom_labels_if_necessary if (len(msg) != 0): raise Sorry(msg.rstrip()) Sorry: number of groups of duplicate atom labels: 1 total number of affected atoms: 2 group "HETA .*. ZN ZNFL 1 .*. Zn " "HETA .*. ZN ZNFL 1 .*. Zn "