Good to know.
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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
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On Thu, Jun 9, 2011 at 3:55 PM, Pavel Afonine
<pafonine@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.