On Oct 19, 2009, at 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
Currently, no. I believe we now have most or all of the data necessary to calculate the clashscore as a percentile - I'll ask Pavel about this. It probably won't be difficult to add. We don't report an overall score for validation, mostly because such a statistic is potentially misleading and not especially useful. If you're interested in comparisons to existing structures, the program phenix.polygon will show where your structure falls in the distribution of similar PDB models, but you should consider each statistic individually. (And take into account local measures, like real-space fit.) -Nat ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]