[phenixbb] twin refinement in phenix-1.5-2

[Kelly Daughtry]

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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