INPUT Reading model from /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8ear_27983/12_2022/8ear_27983.pdb Reading option "hydrogens=False" from command line Writing effective parameters to 8ear_27983.eff Ligand restraint generation using eLBOW, phenix.elbow Build ligand and use monomer library to name atoms : I3P Using monomer library entry I3P as template Build ligand and use monomer library to name atoms : ATP Using monomer library entry ATP as template Attempting to download Chemical Components file for PLX Running eLBOW on PLX.cif MoleculeClass : C:42 N: 1 O: 8 P: 1 (CHEMICAL COMPONENTS format) 140 atoms 139 bonds 270 angles 381 dihedrals 0 rings (groups, rings, atoms) 0 0 3 chirals : S R S Build ligand and use user provided restraints : PLX There is a tetra-coordinated nitrogen in your input. You may need to add charge to the nitrogen thus: ATOM 77320 N1PLX A2809 156.894 196.354 270.065 1.00119.36 N+1 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'