[phenixbb] AssertionError at asking for kicked maps

[Pavel Afonine]

Hi Jorge,

can you please send me off list inputs necessary to reproduce this problem?

Thanks,
Pavel

On 4/9/14, 10:25 AM, Jorge Iulek wrote:
> Dear all,
>
>     It would be nice to have kicked maps for a structure I am working 
> with now. When I set then to True, I get in my log:
>
> "
> ...
>
> shake map coefficients cycles:
>   0
>   1
>   2
>   3
>   4
>   5
>   6
>   7
>   8
>   9
> shake f_model cycles:
> approx_equal eps: 1e-06
> approx_equal multiplier: 10000000000.0
> 0.231506183818 approx_equal ERROR
> 0.235167389229 approx_equal ERROR
>
> Traceback (most recent call last):
>   File 
> "/usr/local/phenix-1.8.4-1496/build/intel-linux-2.6-x86_64/../../phenix/phenix/command_line/refine.py", 
> line 11, in <module>
>     command_line.run(command_name="phenix.refine", args=sys.argv[1:])
>   File 
> "/usr/local/phenix-1.8.4-1496/phenix/phenix/refinement/command_line.py", 
> line 177, in run
>     map_manger.write_files()
>   File 
> "/usr/local/phenix-1.8.4-1496/phenix/phenix/refinement/driver.py", 
> line 1780, in write_files
>     map_coeff_dataset=self.write_mtz_file(),
>   File 
> "/usr/local/phenix-1.8.4-1496/phenix/phenix/refinement/driver.py", 
> line 1766, in write_mtz_file
>     pdb_hierarchy=self.refine_object.model.pdb_hierarchy())
>   File 
> "/usr/local/phenix-1.8.4-1496/cctbx_project/mmtbx/maps/__init__.py", 
> line 515, in __init__
>     pdb_hierarchy            = pdb_hierarchy)
>   File 
> "/usr/local/phenix-1.8.4-1496/cctbx_project/mmtbx/maps/__init__.py", 
> line 439, in map_coefficients_from_fmodel
>     map_type = params.map_type).map_coefficients
>   File 
> "/usr/local/phenix-1.8.4-1496/cctbx_project/mmtbx/maps/__init__.py", 
> line 650, in __init__
>     assert approx_equal(fmodel.r_work(), fmodel_dc.r_work())
> AssertionError
> "
>
>     I see a previous problem like this at 
> http://www.phenix-online.org/pipermail/phenixbb/2009-July/013517.html 
> , but I cannot find a follow up concerning how to solve it. I am using 
> the latest stable version, phenix-1.8.4-1496  , under openSuSE 12.3.
>
>     When I set kicked maps to false, everything goes fine.
>     Can this be solved? Also, a point to a former version that can 
> "kick" would be enough.
>     Thanks,
>
> Jorge
>
>
>
>
>
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