[phenixbb] reference model restrain error
Stephan Barden
stephan.barden at uni-bielefeld.de
Wed Nov 23 06:12:12 PST 2011
Dear all,
I'm facing a problem with a fresh (yesterday) installation of phenix
1.7.2-869 refining a structure with 6 molecules per ASU at 3.25 A and
using a different reference structure with 1 mol/ASU at higher
resolution. I wrote an additional parameter file to assign the reference
model to each of the six molecules, which worked well with an older
version of phenix. After the upgrade neither taking the additional
parameter file, nor auto alignment worked for me. The error comming up
is always:
RuntimeError : Duplicate sequence number and insertion code.
Traceback:
File "/sw/phenix-1.7.2-869/cctbx_project/libtbx/thread_utils.py",
line 229, in run
return_value = self._target(self._args, self._kwargs, self._c)
File "/sw/phenix-1.7.2-869/cctbx_project/libtbx/runtime_utils.py",
line 72, in __call__
result = self.target()
File "/sw/phenix-1.7.2-869/phenix/phenix/refinement/runtime.py", line
67, in __call__
call_back_handler=callback)
File "/sw/phenix-1.7.2-869/phenix/phenix/refinement/command_line.py",
line 75, in run
overwrite = command_line_interpreter.command_line.options.overwrite)
File "/sw/phenix-1.7.2-869/phenix/phenix/refinement/driver.py", line
209, in __init__
log=self.log)
File
"/sw/phenix-1.7.2-869/cctbx_project/mmtbx/torsion_restraints/reference_model.py",
line 145, in __init__
self.get_reference_dihedral_proxies()
File
"/sw/phenix-1.7.2-869/cctbx_project/mmtbx/torsion_restraints/reference_model.py",
line 611, in get_reference_dihedral_proxies
log=self.log)
File
"/sw/phenix-1.7.2-869/cctbx_project/mmtbx/torsion_restraints/reference_model.py",
line 398, in process_reference_groups
raise e
Has anyone observed a similar problem? Are there any suggestions?
Thanks,
StephanB.
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