[phenixbb] Possible Twinned data

Pavel Afonine pafonine at lbl.gov
Thu Jun 9 12:55:41 PDT 2011

> 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



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