[phenixbb] phenix.refine crashes
Jianghai Zhu
jzhu at idi.harvard.edu
Tue May 8 06:55:36 PDT 2012
Hi,
I am using phenix.refine dev-1051. When I was trying flip_peptide, it crashes with the following error messages.
Validate:
|--------START--------| |--------FINAL--------|
residue map_cc 2mFo-DFc mFo-DFc map_cc 2mFo-DFc mFo-DFc
Traceback (most recent call last):
File "/home/jzhu/phenix/phenix-dev-1051/build/intel-linux-2.6-x86_64/../../phenix/phenix/command_line/refine.py", line 11, in <module>
command_line.run(command_name="phenix.refine", args=sys.argv[1:])
File "/home/jzhu/phenix/phenix-dev-1051/phenix/phenix/refinement/command_line.py", line 146, in run
call_back_handler=call_back_handler)
File "/home/jzhu/phenix/phenix-dev-1051/phenix/phenix/refinement/driver.py", line 1499, in run
ncs_manager = self.ncs_manager)
File "/home/jzhu/phenix/phenix-dev-1051/phenix/phenix/refinement/strategies.py", line 928, in refinement_machine
params = params.flip_peptides)
File "/home/jzhu/phenix/phenix-dev-1051/cctbx_project/mmtbx/refinement/flip_peptides.py", line 445, in run
log=log)
File "/home/jzhu/phenix/phenix-dev-1051/cctbx_project/mmtbx/refinement/fit_rotamers.py", line 749, in validate_changes
sites_cart=sites_cart)
File "/home/jzhu/phenix/phenix-dev-1051/cctbx_project/mmtbx/refinement/flip_peptides.py", line 152, in __call__
return (self.rama_lookup.evaluate_sites(res_type,i_seqs,sites_cart)<0.002)
File "/home/jzhu/phenix/phenix-dev-1051/cctbx_project/mmtbx/rotamer/ramachandran_eval.py", line 76, in evaluate_sites
"isoleucine or valine"])
AssertionError
-- Jianghai
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