[phenixbb] Adding H atoms - AssertionError
Kristof Van Hecke
kristofrg.vanhecke at gmail.com
Mon Sep 3 05:26:33 PDT 2012
Dear,
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 :
Traceback:
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
no_file_access=True,
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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