Kristof
This bug has been fixed. This is the joining of the restraints files
together so you should have the files on disk and you can provide them
all to phenix.refine.
Please update to a nightly or wait for the next major release in a week or two.
Cheers
Nigel
On Mon, Sep 3, 2012 at 7:47 PM, Pavel Afonine
Hi Kristof,
if Nigel haven't contacted you off list yet, could you please send us inputs necessary to reproduce this problem (in this case I guess this is your PDB file)? Also, it would be helpful if you tell what you did (clicked) before the error occurred.
Pavel
On 9/3/12 5:26 AM, Kristof Van Hecke wrote:
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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