[phenixbb] twin refinement in phenix-1.5-2

Peter Zwart phzwart at gmail.com
Tue Jan 19 09:28:58 PST 2010


Try using a different map type for the difference map, maybe that
solves the problem.

P

2010/1/19 Kelly Daughtry <kddaught at bu.edu>:
> Hello all,
> I am wondering if anyone has run across this problem and knows how to fix it.
>
> I have a twinned dateset and I am using phenix.refine to refine the dataset.
> I have the full 1.5-2 installation.
>
> When I include the twin law (-k, -h, -l) in the refinement, I get this error:
>
>  File "/usr/swr/phenix-1.5-2/cctbx_project/mmtbx/twinning/twin_f_model.py",
> line 1651, in map_coefficients
>    "m_gradient"
> AssertionError
>
> If I do not include the twin law, I do not get the error and the
> refinment continues as normal.
>
> When I downgraded to Phenix.1.4-3 (full install), And use the same
> twin law, I am able to run phenix.refine without an error.
>
> I have attached my definition file for phenix.1.5-2 amd the log file.
>
>
> Thanks in advance for any help you can provide,
> Kelly Daughtry
>
>
> *******************************************************
> Kelly Daughtry
> PhD Candidate
> Department of Physiology and Biophysics
> Boston University School of Medicine
> 590 Commonwealth Ave
> R 390
> Boston MA, 02215
> (P) 617-358-5548
> *******************************************************
>
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>



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P.H. Zwart
Beamline Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
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Cell: 510 289 9246
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