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News & Updates Official Release PyMOL v2.2 has been released on July 24, 2018. POSF PyMOL Open-Source Fellowship program accepting applications for 2018-2019 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 New Plugin LiSiCA is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm. 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... LigAlign ===IMAGES=== Ligand-based alignment of 1XBB and 1OPJ Atom-to-atom mapping of ligands Alignment of 1V07 and 1HBI using heme DESCRIPTION LigAlign is a tool to compare protein active-sites and investigate ligand binding. The active-site alignment is guided by the orientation of bound ligands in the protein active sites. LigAlign supports analysis of flexible ligand via automatic fragment-based alignment: first computing a natural fragmentation of the query ligand, aligning each fragment of the query independently against the baseline, and then permitting easy visualization of each active site subcavity. We use protein-ligand complexes to compare the active sites of several proteins which interact with a chosen ligand. Beginning with a user-specified protein-ligand structure, LigAlign gathers experimental structures of other proteins bound to the ligand from the Protein Data Bank. The tool then aligns the ligands bound in the ..→

A Random PyMOL-generated Cover. See Covers.