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Revision as of 07:41, 10 September 2013 by LukasPravda (talk | contribs) (added information about the new plugin MOLE for PyMOL)
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Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
New accounts: email jason (dot) vertrees (@) gmail dot com
Quick Links
Tutorials Table of Contents Commands
Script Library Plugins FAQ
Gallery | Covers PyMOL Cheat Sheet (PDF) GoogleSearch
News & Updates
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.
New Plugin GROMACS_Plugin is a new plugin that ties together PyMOL and GROMACS.
New Software CMPyMOL is a software that interactively visualizes 2D contact maps of proteins in PyMOL.
New Script cgo_arrow draws an arrow between two picked atoms.
Tips & Tricks Instructions for generating movie PDFs using .mpg movies from PyMOL.
New Script Cluster Count calculates statistics on the B-values for all atoms in the selected object.
New Script Make Figures aids you in making publication quality figures for the currently displayed scene.
New Script Distances RH
PyMOL on the iPad PyMOL is now available on the iPad as a free download from the AppStore. See pymol.org/mobile for more info.
OS X Compatibility Mac OS X 10.8 doesn't ship with X11. But, you can get the libraries here X11 Libraries.
New Script select_sites can set author/paper selections according to SITE annotation in pdb file
New Script b2transparency can set surface transparency based on atom b-factor
New Extension psico is a python module which extends PyMOL with many commands
New Script uniprot_features makes named selections for sequence annotations from uniprot
New Plugin Gyration_tensor Calculates chain-wise gyration tensor of a protein.
New Script set_phipsi can set phi/psi angles for all residues in a selection
New Script dehydron A plugin to calculate dehydrons and display them onto the protein structure. A dehydron is a main chain hydrogen bond incompletely shielded from water attack.
New Script pymol2glmol is script to export a scene in pymol to a webpage for GLmol. GLmol is a molecular viewer for Web browsers written in WebGL/Javascript. Like web Jmol, but MUCH faster. Try it out!
New Script cyspka is an experimental surface cysteine pKa predictor.
New Plugin Contact_Map_Visualizer visualize residues corresponding to the contact map. See CMPyMOL.
New Script spectrum_states colors states of multi-state object
New Script TMalign is a wrapper for the TMalign program
Gallery Updates The gallery has been updated to include a few new ideas and scripts for rendering
New Script save_settings can dump all changed settings to a file
Tips & Tricks Instructions for generating 3D PDFs using PyMOL.
Wiki Update Wiki has been updated. Please report any problems to the sysops.
New Scripts Create objects for each molecule or chain in selection with split_object and split_chains
New Script Rotkit: is a collection of usefull scripts to place your dye/molecule where you want. It includes a very handy, rotation around line, function.
New Script Forster-distance-calculator: Can be used as a pymol-python shortcut to calculate the Förster distance between dyes from different companies. Useful, if the user have pymol installed, but not python. This script is meant as a tool to finding the right dyes, when labelling suitable positions for the site-directed cysteine mutants. See DisplacementMap.
New Script propka: Fetches the pka values for your protein from the propka server. propka generates a pymol command file that make pka atoms, color and label them according to your protein. Inspection is made easy by grouping the pka atoms in the pymol menu.
Older News See Older News.
Did you know...

Split states

Split_States splits and orients multiple models and multimers from the biological unit file into a set of single-state molecular objects.

Syntax

split_states object [, first [, last [, prefix ]]]

This splits the object from first to last out to the array of objects prefixed by prefix. The prefix option is very handy if all your states--or a subset of the states--have the same name.

Using

To use split_states simply Load your molecule

# example usage
load fileName.pdb1, name
split_states name
delete name

# split all the states to objects starting with conf
fetch 1nmr
split_states 1nmr, prefix=conf

Example

1VLS: A dimer.

load 1vls.pdb1, 1vls
split_states 1vls
dele 1vls

<gallery> Image:1vls1.png|1VLS as a monomer. This is the state of 1VLS when I load the molecule (and select cartoon representation). Image:1vls1_dimer.png|1VLS as a dimer using the split_states ..→

A Random PyMOL-generated Cover. See Covers.