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Latest revision as of 11:54, 12 March 2024

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Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
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News & Updates
Official Release	PyMOL v3.0 has been released on March 12, 2024.
New Plugin	CavitOmiX calculate Catalophore™ cavities, predict protein structures with OpenFold by NVIDIA-BioNeMo, ESMFold and retrieve Alphafold models
Official Release	PyMOL v2.5 has been released on May 10, 2021.
Python 3	New Python 3 compatibility guide for scripts and plugins
POSF	New PyMOL fellowship announced for 2022-2023
Tutorial	Plugins Tutorial updated for PyQt5
New Plugin	PICv is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
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
Older News	See Older News.

Did you know...
FilterByMol == Overview == This script filters through all the PDBs in the parent dir (you can easily the the directory it scans). For each molecule, it saves just the ligands/heteroatoms (excluding the waters). This gives you a simple way to filter through a database of proteins looking only at their ligands. This script, as noted below, works on the objects at the level of a molecule. While we can iterate over atom number (ID), residue number (resi), etc we do not have any such "MOLID". So, we provide this simple workaround. You might need this file because if you have a residue (like #111 from 3BEP) that consists of a molecule and an atom then there's no other way to save the separate pieces (of molecule/atom) into two (or more files). As you can see in the following listing, if we iterate over the hetero atoms (and not waters) in 3BEP we get, <source lang="python"> PyMOL>iterate bymol het, print resi, resn, ID, chain, segi, alt 111 5CY 6473 C 111 5CY 6474 C 111 5CY 6476 C 111 5CY 6477 C 111 5CY 6478 C 111 5CY ..→

A Random PyMOL-generated Cover. See Covers.

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 {| class="jtable" style="float: left; width: 90%;"
 |+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News &amp; Updates
+|-
+! Official Release
+| [https://pymol.org PyMOL v3.0 has been released] on March 12, 2024.
+|-
+! New Plugin
+| [[CavitOmiX|CavitOmiX]] calculate [https://innophore.com Catalophore™ cavities], predict protein structures with [https://www.nvidia.com/en-us/gpu-cloud/bionemo OpenFold by NVIDIA-BioNeMo], [https://ai.facebook.com/blog/protein-folding-esmfold-metagenomics/ ESMFold] and retrieve [https://www.deepmind.com/research/highlighted-research/alphafold Alphafold] models
+|-
+! Official Release
+| [https://pymol.org PyMOL v2.5 has been released] on May 10, 2021.
+|-
+! Python 3
+| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
 |-
 ! POSF
-| [https://pymol.org/fellowship New PyMOL fellows announced for 2018-2019]
+| [https://pymol.org/fellowship New PyMOL fellowship announced for 2022-2023]
 |-
 ! Tutorial
 | [[Plugins Tutorial]] updated for PyQt5
-|-
-! Official Release
-| [https://pymol.org PyMOL v2.2 has been released] on July 24, 2018.
 |-
 ! New Plugin
-| [[ProBiS_H2O|ProBiS H2O]] is a new plugin for identification of conserved waters in protein structures.
+| [[PICv|PICv]] is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
 |-
 ! Selection keywords