[phenixbb] Adding H atoms - AssertionError

Kristof Van Hecke kristofrg.vanhecke at gmail.com
Mon Sep 3 05:26:33 PDT 2012


When I try to add H-atoms to a metal-coordination complex (not a  
protein, nor DNA) during refinement or via the ReadySet module, I get  
the following error:
(I have a proper restraints .cif file and without the 'add H-atoms'  
option during refinement, things work fine,. )

AssertionError :
   File "/Applications/PHENIX-1.8-1069/Contents/phenix-1.8-1069/ 
cctbx_project/libtbx/thread_utils.py", line 233, in run
     return_value = self._target(self._args, self._kwargs, self._c)

   File "/Applications/PHENIX-1.8-1069/Contents/phenix-1.8-1069/ 
cctbx_project/libtbx/runtime_utils.py", line 80, in __call__
     result = self.target()

   File "/Applications/PHENIX-1.8-1069/Contents/phenix-1.8-1069/phenix/ 
wxGUI2/SimpleApp.py", line 17, in __call__
     return self.target(args=list(self.args))

   File "/Applications/PHENIX-1.8-1069/Contents/phenix-1.8-1069/elbow/ 
elbow/command_line/ready_set.py", line 1038, in run

   File "/Applications/PHENIX-1.8-1069/Contents/phenix-1.8-1069/elbow/ 
elbow/command_line/join_cif_files.py", line 151, in run
     assert 0

I have the latest version of Phenix (1.8.1069) and run it on a Mac  
Book pro (Leopard 10.5.8).

Any suggestions please..?

Thank you very much

Kristof Van Hecke

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