Dear Constance, your question means that you want to know the so-called quantile rank corresponding to the cut-off levels you have chosen (see the article in Acta Cryst D, D70, 2593-2606 (2014) that is talking specially about this).
To rescale from sigma's into percentile ranks, you may use either the corresponding phenix option (map comparison) or using a separate python program that I will send you by a separate mail, out of bb. With best wishes, Sacha ________________________________________ De : CCP4 bulletin board [[email protected]] de la part de Constance Jeffery [[email protected]] Envoyé : dimanche 30 novembre 2014 21:26 À : [email protected] Objet : [ccp4bb] Fwd: question about calculating electrostatic potentials Dear CCP4 users, I have a question about protein electrostatic surfaces. We used Pymol to calculate electrostatic surfaces of several protein structures. Is there a way to calculate the percent of surface that is red, or the area of surface that is red, so that we can quantitatively compare these structures? Thanks, Connie
