[phenixbb] weight optimization

Raja Dey rdey at usc.edu
Tue Oct 28 15:32:38 PDT 2008


Hi,
    I was trying to optimize weights as follows, but it came out with the error given below. Can anyone tell me what's wrong?
I used 
phenix.refine ../p65_nat.mtz ../p65_136.1.pdb optimize_wxc=true optimize_wxu=true output.prefix=136.1


     ----------xray term weight optimization (wxc)----------            

Traceback (most recent call last):
  File "/usr/local/phenix-1.3b-rc6/phenix/phenix/command_line/refine.py", line 5, in <module>
    command_line.run(command_name="phenix.refine", args=sys.argv[1:])
  File "/usr/local/phenix-1.3b-rc6/phenix/phenix/refinement/command_line.py", line 82, in run
    call_back_after_monitor_collect=call_back_after_monitor_collect)
  File "/usr/local/phenix-1.3b-rc6/phenix/phenix/refinement/driver.py", line 1143, in run
    call_back_after_monitor_collect = call_back_after_monitor_collect)
  File "/usr/local/phenix-1.3b-rc6/phenix/phenix/refinement/strategies.py", line 449, in refinement_machine
    log                           = log)
  File "/usr/local/phenix-1.3b-rc6/phenix/phenix/refinement/weight_xray_chem.py", line 256, in __init__
    self.wxc_optimization()
  File "/usr/local/phenix-1.3b-rc6/phenix/phenix/refinement/weight_xray_chem.py", line 511, in wxc_optimization
    wxc = self.holder.wxc
AttributeError: weight instance has no attribute 'holder'

Thanks...
Raja




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