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News & Updates New Plugin LiSiCA is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm. Official Release PyMOL v1.8.0 has been released on Nov 18, 2015. PyMOL Open-Source Fellowship Schrödinger is now accepting applications for the PyMOL Open-Source Fellowship program! Details on http://pymol.org/fellowship Official Release PyMOL, AxPyMOL, and JyMOL v1.7.6 have all been released on May 4, 2015. New Plugin PyANM is a new plugin for easier Anisotropic Network Model (ANM) building and visualising in PyMOL. New Plugin Bondpack is a collection of PyMOL plugins for easy visualization of atomic bonds. New Plugin MOLE 2.0 is a new plugin for rapid analysis of biomacromolecular channels in PyMOL. 3D using Geforce PyMOL can now be visualized in 3D using Nvidia GeForce video cards (series 400+) with 120Hz monitors and Nvidia 3D Vision, this was previously only possible with Quadro video cards. 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.