[phenixbb] Adding H atoms - AssertionError

[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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