[phenixbb] phenix-1.15.2-3472 crashes with multiple CIF's

[oleg at quantumbioinc.com]

phenix-1.15.2-3472 crashes at the very end of the refinement when multiple CIF's are given at the command line (see below).

Please have a look.

Thanks

Oleg Borbulevych, Ph.D.
Staff Scientist
QuantumBio, Inc.
2790 W. College Ave.
State College, PA 16801
E-mail: oborbulevych at yahoo.com, oleg at quantumbioinc.com
Linkedin Professional Profile: https://www.linkedin.com/in/oleg-borbulevych-b8045422




============================== Exporting results ==============================
 
Writing refined structure to PDB file:
  /home/oleg/TEST2/astex/full_set/astex_oniom_qm5_5_01_19/1N2J/1N2J-H_refine_001.pdb
n_use            =  9639
n_use_u_iso      =  9639
n_use_u_aniso    =  0
n_grad_site      =  0
n_grad_u_iso     =  0
n_grad_u_aniso   =  0
n_grad_occupancy =  0
n_grad_fp        =  0
n_grad_fdp       =  0
total number of scatterers =  9639
 
Writing refined structure to CIF file:
  /home/oleg/TEST2/astex/full_set/astex_oniom_qm5_5_01_19/1N2J/1N2J-H_refine_001.cif
Traceback (most recent call last):
  File "/home/oleg/phenix-1.15.2-3472/build/../modules/phenix/phenix/command_line/refine.py", line 11, in <module>
    command_line.run(command_name="phenix.refine", args=sys.argv[1:])
  File "/home/oleg/phenix-1.15.2-3472/modules/phenix/phenix/refinement/command_line.py", line 162, in run
    refine_object.write_model_cif_file(f_cif_model)
  File "/home/oleg/phenix-1.15.2-3472/modules/phenix/phenix/refinement/driver.py", line 984, in write_model_cif_file
    additional_blocks=[cif_block])
  File "/home/oleg/phenix-1.15.2-3472/modules/cctbx_project/mmtbx/model/model.py", line 964, in model_as_mmcif
    restraints = self.extract_restraints_as_cif_blocks()
  File "/home/oleg/phenix-1.15.2-3472/modules/cctbx_project/mmtbx/model/model.py", line 862, in extract_restraints_as_cif_blocks
    if '_chem_comp_plane_atom.comp_id' in loop.keys():
AttributeError: 'NoneType' object has no attribute 'keys'