[phenixbb] phenix.model_vs_data

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.

Is this accomplished in polygon in the GUI? -- Yuri Pompeu