[phenixbb] Possible Twinned data

[Kelly Daughtry]

I didn't realize it had that functionality!
Good to know.

*******************************************************
Kelly Daughtry, Ph.D.
Post-Doctoral Fellow, Raetz Lab
Biochemistry Department
Duke University
Alex H. Sands, Jr. Building
303 Research Drive
RM 250
Durham, NC 27710
P: 919-684-5178
*******************************************************


On Thu, Jun 9, 2011 at 3:55 PM, Pavel Afonine <pafonine at lbl.gov> wrote:

>
>  I would refine in parallel with and without the twin law and check the
>> resulting maps and R-factors.
>> I had a case where the twin fraction was 0.06, which I expected to be
>> negotiable. When I included the twin law in refinement, my R-factors dropped
>> dramatically.
>>
>
> This is what phenix.model_vs_data does: it runs Xtriage internally and
> tries all suggested twin laws, scores the results by R-factor and prints out
> the verdict:
>
> phenix.model_vs_data model.pdb data.mtz
>
> phenix.model_vs_data:
> http://phenix-online.org/documentation/model_vs_data.htm
>
> Pavel.
>
>
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>
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