Greetings fellow crystallographers,

This past weekend, I collected some new data on my new project, indexed, scaled it, and found a phaser solution. The resolution is 3.6 A and I need to find one of the protein components, so I'm slowly refining piece-by-piece so I don't overdo it and flatten out the missing protein. To do this, I simply do rigid body and tls refinements for decreasingly smaller pieces of the protein I've already found. This method worked for me in the past for a similar structure. However, this time, as the refinement is finishing up, I get an input/output error and the program shuts down. Sometimes I get similar errors, and I can fix them by simply running the job again, overwriting the failed job, but this time that doesn't seem to be working. Here's the output from my .log file:

Traceback (most recent call last):
  File "/programs/phenix-1.5-2/phenix/phenix/command_line/refine.py", line 11, in <module>
    command_line.run(command_name="phenix.refine", args=sys.argv[1:])
  File "/programs/phenix-1.5-2/phenix/phenix/refinement/command_line.py", line 89, in run
    call_back_handler=call_back_handler)
  File "/programs/phenix-1.5-2/phenix/phenix/refinement/driver.py", line 1121, in run
    call_back_handler       = call_back_handler)
  File "/programs/phenix-1.5-2/phenix/phenix/refinement/strategies.py", line 428, in refinement_machine
    monitors   = monitors)
  File "/programs/phenix-1.5-2/cctbx_project/mmtbx/refinement/rigid_body.py", line 559, in __init__
    out    = log)
  File "/programs/phenix-1.5-2/cctbx_project/mmtbx/refinement/rigid_body.py", line 619, in show
    translations=t_vec)
  File "/programs/phenix-1.5-2/cctbx_project/mmtbx/refinement/print_statistics.py", line 161, in show_rigid_body_rotations_and_translations
    % euler_angle_convention, suffix=frame)
  File "/programs/phenix-1.5-2/cctbx_project/libtbx/utils.py", line 652, in write
    file_object.write(str)
IOError: [Errno 5] Input/output error

Again, the only thing I've done is made a few rigid body and tls groups. Please advise!

Thanks,
Geoff

--
Geoffrey K. Feld

Department of Chemistry
492 Stanley Hall
University of California, Berkeley

"Vigilia pretium libertatis"