Hi Hari, if you run phenix.model_vs_data you will get those numbers (namely: Ramachandran outliers, clashscores, CB-deviations; although you will not get "Molprobity score" simply because I don't know what it is and so I didn't add it): phenix.model_vs_data model.pdb data.mtz Nat: every time time you run model_vs_data for whatever purpose (getting fmodel, etc...) you get an object that contains all these numbers. Pavel. On 10/19/09 3:32 PM, hari jayaram wrote:
Hi i just started using the phenix GUI front-end to Molprobity . Its really nice the way it plugs into coot and displays all the statistics etc. Is there any place that it also reports the percentile clashscore and percentile Molprobity score for overall model quality a la the webserver at molprobity.biochem.duke.edu
Thanks Hari _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb