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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... ShowLigandWaters Introduction This script detects waters molecules within a specified distance from the ligand. Detected water molecules are shown as spheres. Distances between water molecules and O or N atoms of ligand (potential H-bonds) are shown by dotted lines. An output file containing a list of distance between waters and ligand atoms and the number of interactions is written in the main PyMol folder. Usage waters [ligand name, distance] Required Arguments ligand name = the ligand residue name distance = max distance in Angstroms Examples example #1 on PDB structure (1C0L) PyMOL>waters FAD, 2.8 Output in GUI of PyMol: Total number of water molecules at 2.8 A from ligand FAD: 3 Number of water molecules that interact with ligand: 3 Number of interactions ..→

A Random PyMOL-generated Cover. See Covers.