[phenixbb] Assertion Error when using kicked maps in solvent update

Pavel Afonine PAfonine at lbl.gov
Tue Jul 21 08:06:42 PDT 2009


Hi Cartsen,

yes, I need more information to debug it... I know sending the data may 
be problematic for you, but if you could fake it (but make sure the 
program still crash) that would be great. For example, leave just a 
couple of atoms in your PDB file and distort somehow the reflection data 
file...

Meanwhile I will try to reproduce it myself.

Pavel.


On 7/21/09 7:54 AM, Schubert, Carsten [PRDUS] wrote:
>
> Hi
>
> In 1.4.106 I get the following Assertion Error when I use kicked maps 
> (refinement.ordered_solvent.use_kick_maps=True) in the solvent update 
> section:
>
> Traceback (most recent call last):
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/command_line/refine.py", 
> line 19, in <module>
>
>     command_line.run(command_name="phenix.refine", args=sys.argv[1:])
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/command_line.py", 
> line 89, in run
>
>     call_back_handler=call_back_handler)
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/driver.py", 
> line 1125, in run
>
>     call_back_handler       = call_back_handler)
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/strategies.py", 
> line 358, in refinement_machine
>
>     log               = log)
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/solvent/ordered_solvent.py", 
> line 205, in __init__
>
>     use_kick_map = self.params.use_kick_maps).peaks_mapped()
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/solvent/ordered_solvent.py", 
> line 394, in find_peaks
>
>     log             = self.log)
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/find_peaks.py", 
> line 98, in __init__
>
>     crystal_gridding_tags = fft_map.tags()
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/cctbx/maptbx/__init__.py", 
> line 152, in tags
>
>     return crystal_gridding_tags(self)
>
>   File 
> "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/cctbx/maptbx/__init__.py", 
> line 158, in __init__
>
>     assert gridding.symmetry_flags() is not None
>
> AssertionError
>
> Running from the same .def file w/o kicked maps works fine. Let me 
> know if you need more info to debug this.
>
> Cheers,
>
> Carsten
>
> ------------------------------------------------------------------------
>
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