INPUT Reading model from /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6x80_22088/12_2022/6x80_22088.pdb Reading option "hydrogens=False" from command line Writing effective parameters to 6x80_22088.eff Ligand restraint generation using eLBOW, phenix.elbow Attempting to download Chemical Components file for P8E Running eLBOW on P8E.cif group index 6 change? False ChiralClass Atom O2 (17) xyz:(-0.626, -1.813, -0.260) Atom C2 ( 8) xyz:( 0.750, -1.814, -0.266) S ring index: 1 Atom O6 (12) xyz:( 1.222, -0.623, -1.004) ring index: 1 Atom C1 ( 9) xyz:( 1.240, -3.050, -0.965) Atom C3 ( 7) xyz:( 1.250, -1.829, 1.186) ring index: 1 not correct chiralisation MoleculeClass : C: 9 N: 2 O: 6 (CHEMICAL COMPONENTS format) 34 atoms 34 bonds 61 angles 96 dihedrals 1 rings (groups, rings, atoms) 1 6 6 chirals : S S S S S S Build ligand and use user provided restraints : P8E Traceback (most recent call last): File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/build/../modules/elbow/elbow/command_line/ready_set.py", line 1108, in run(args) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/build/../modules/elbow/elbow/command_line/ready_set.py", line 882, in run random_seed=working_params.ready_set.run_options.random_seed, File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/build/../modules/elbow/elbow/command_line/ready_set.py", line 266, in run_though_all_the_options None), File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/scripts/elbow_on_pdb_file.py", line 2487, in run hydrogens=hydrogens, File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/elbow/elbow/scripts/elbow_on_pdb_file.py", line 2027, in elbow_on_pdb_file line.name = atom.atom_name_in_input AttributeError: AtomClass instance has no attribute 'atom_name_in_input'