Statistics: Model class (with restraints) from pdb failed. /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5fn1_3236/12_2022/5fn1_3236.pdb /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5fn1_3236/12_2022/5fn1_3236.map 3.9 Traceback (most recent call last): File "/net/marbles/raid1/dorothee/rerefine/cryoem/rerefine_script.py", line 345, in get_statistics model.process(make_restraints=True) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/cctbx_project/mmtbx/model/model.py", line 1828, in process allow_missing_symmetry = True) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/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-dev-4807/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-dev-4807/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 5777, in __init__ restraints_loading_flags=restraints_loading_flags) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 3358, in __init__ self.counts.raise_duplicate_atom_labels_if_necessary() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/cctbx_project/iotbx/pdb/hierarchy.py", line 342, in raise_duplicate_atom_labels_if_necessary if (len(msg) != 0): raise Sorry(msg.rstrip()) Sorry: number of groups of duplicate atom labels: 3406 total number of affected atoms: 6812 group "ATOM .*. N GLY A 21 .*. N " "ATOM .*. N GLY A 21 .*. N " group "ATOM .*. CA GLY A 21 .*. C " "ATOM .*. CA GLY A 21 .*. C " group "ATOM .*. C GLY A 21 .*. C " "ATOM .*. C GLY A 21 .*. C " group "ATOM .*. O GLY A 21 .*. O " "ATOM .*. O GLY A 21 .*. O " group "ATOM .*. HA2 GLY A 21 .*. H " "ATOM .*. HA2 GLY A 21 .*. H " group "ATOM .*. HA3 GLY A 21 .*. H " "ATOM .*. HA3 GLY A 21 .*. H " group "ATOM .*. N ALA A 22 .*. N " "ATOM .*. N ALA A 22 .*. N " group "ATOM .*. CA ALA A 22 .*. C " "ATOM .*. CA ALA A 22 .*. C " group "ATOM .*. C ALA A 22 .*. C " "ATOM .*. C ALA A 22 .*. C " group "ATOM .*. O ALA A 22 .*. O " "ATOM .*. O ALA A 22 .*. O " ... 3396 remaining groups not shown