Hi Scott, yes, "model_vs_data" does exactly this task: phenix.model_vs_data model.pdb data.mtz To see more options, just type "phenix.model_vs_data" and hit Enter. You can also use phenix.refine for this: phenix.refine model.pdb data.mtz strategy=none main.number_of_macro_cycles=1 Pavel. On 2/2/2009 2:55 PM, Scott Classen wrote:
Hi all,
I was wondering if phenix can calculate r_work and r_free without refinement, sort of like the model_stats from CNS.
Thanks, Scott
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Scott Classen, Ph.D. SIBYLS Beamline 12.3.1 http://bl1231.als.lbl.gov Advanced Light Source Lawrence Berkeley National Laboratory 1 Cyclotron Rd MS6R2100 Berkeley, CA 94720 C) 510.206.4418 O) 510.495.2697 Beamline) 510.495.2134 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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