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News & Updates Python 3 New Python 3 compatibility guide for scripts and plugins Official Release PyMOL v2.3 has been released on February 11, 2019. POSF New PyMOL fellows announced for 2018-2019 Tutorial Plugins Tutorial updated for PyQt5 New Plugin ProBiS H2O is a new plugin for identification of conserved waters in protein structures. Selection keywords New polymer.protein and polymer.nucleic selection keywords. Thanks everyone who participated in the poll! Plugin Update MOLE 2.5 is an updated version of channel analysis software in PyMOL New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons Older News See Older News.

Did you know... Radius of gyration Included in psico This command or function is available from psico, which is a PyMOL extension. Module psico.querying#gyradius This script does calcualate the radius of gyration of a molecule. Thanks to Tsjerk Wassenaar for posting this script on the pymol-users mailing list! The function was added to psico as "gyradius". <source lang="python"> from pymol import cmd import math def rgyrate(selection='(all)', quiet=1): DESCRIPTION Radius of gyration USAGE rgyrate [ selection ] try: from itertools import izip except ImportError: izip = zip quiet = int(quiet) model = cmd.get_model(selection).atom x = [i.coord for i in model] mass = [i.get_mass() for i in model] xm = [(m*i,m*j,m*k) for (i,j,k),m in izip(x,mass)] tmass = sum(mass) rr = sum(mi*i+mj*j+mk*k for (i,j,k),(mi,mj,mk) in izip(x,xm)) mm = sum((sum(i)/tmass)**2 for i in izip(*xm)) rg = math.sqrt(rr/tmass - mm) if not quiet: ..→

A Random PyMOL-generated Cover. See Covers.