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News & Updates Official Release PyMOL v1.8.2 has been released on April 20, 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.