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News & Updates Selection keywords New polymer.protein and polymer.nucleic selection keywords. Thanks everyone who participated in the poll! Official Release PyMOL v2.0 has been released on September 20, 2017. Plugin Update MOLE 2.5 is an updated version of channel analysis software in PyMOL Official Release PyMOL v1.8.6 has been released on March 9, 2017. Official Release PyMOL v1.8.4 has been released on October 4, 2016. New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons 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... CreateAtom A script to create an atom C at a point some distance d from a pair of atoms (A, B), along the line of the bond A-B. The main function takes a modelName (usually, the name of the file loaded, like "1pqr" or "peptide"), a distance, and some parameters to identify the atoms A, B. Use like: createAtomAlongBond("gly", 3, 23, "H", 23, "N", "O") . <source lang="python"> import cmd from chempy import models, cpv """ Create an atom at a distance 'distance' along the bond between atomA and atomB """ def createAtomAlongBond(modelName, distance, resiA, atomNameA, resiB, atomNameB, atomNameC): model = cmd.get_model(modelName) p1 = getAtomCoords(model, str(resiA), atomNameA) p2 = getAtomCoords(model, str(resiB), atomNameB) if p1 is None: print "atom not found!", modelName, resiA, atomNameA elif p2 is None: print "atom not found!", modelName, resiB, atomNameB else: p3 = calculateNewPoint(p1, p2, distance) # the details of the new atom atomDetails = {} ..→

A Random PyMOL-generated Cover. See Covers.