Difference between revisions of "Main Page"

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|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
 
|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
 
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! Official Release
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! POSF
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| [https://pymol.org PyMOL v2.0 has been released] on September 20, 2017.
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| [https://pymol.org/fellowship New PyMOL fellows announced for 2018-2019]
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! Plugin Update
 
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| [[MOLE 2.0: advanced approach for analysis of biomacromolecular channels|MOLE 2.5]] is an updated version of channel analysis software in PyMOL
 
 
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! Official Release
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! Tutorial
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| [http://pymol.org PyMOL v1.8.6 has been released] on March 9, 2017.
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| [[Plugins Tutorial]] updated for PyQt5
 
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|-
 
! Official Release
 
! Official Release
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| [http://pymol.org PyMOL v1.8.4 has been released] on October 4, 2016.
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| [https://pymol.org PyMOL v2.2 has been released] on July 24, 2018.
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! New Script
 
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| [[dssr_block]] is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
 
 
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! New Plugin
 
! New Plugin
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| [[Lisica|LiSiCA]] is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm.
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| [[ProBiS_H2O|ProBiS H2O]] is a new plugin for identification of conserved waters in protein structures.
 
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! Official Release
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! Selection keywords
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| [http://pymol.org PyMOL v1.8.0 has been released] on Nov 18, 2015.
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| New [[Selection Algebra|polymer.protein and polymer.nucleic]] selection keywords. Thanks everyone who participated in the [https://goo.gl/forms/r0Ck03VTytZQxN4A2 poll]!
 
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! PyMOL Open-Source Fellowship
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! Plugin Update
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| Schrödinger is now accepting applications for the PyMOL Open-Source Fellowship program! Details on http://pymol.org/fellowship
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| [[MOLE 2.0: advanced approach for analysis of biomacromolecular channels|MOLE 2.5]] is an updated version of channel analysis software in PyMOL
 
|-
 
|-
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! Official Release
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! New Script
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| [http://pymol.org PyMOL, AxPyMOL, and JyMOL v1.7.6 have all been released] on May 4, 2015.
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| [[dssr_block]] is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
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|-
 
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! New Plugin
 
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| [[PyANM|PyANM]] is a new plugin for easier Anisotropic Network Model (ANM) building and visualising in PyMOL.
 
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! New Plugin
 
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| [[Bondpack]] is a collection of PyMOL plugins for easy visualization of atomic bonds.
 
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|-
 
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! New Plugin
 
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| [[MOLE 2.0: advanced approach for analysis of biomacromolecular channels|MOLE 2.0]] is a new plugin for rapid analysis of biomacromolecular channels in PyMOL.
 
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|-
 
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! 3D using Geforce
 
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| PyMOL can now be [http://forums.geforce.com/default/topic/571604/3d-vision/3d-vision-working-with-qbs-in-opengl-software-using-geforce/2/ 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.
 
 
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! Older News
 
! Older News

Revision as of 06:57, 27 November 2018

hosted by SBGridlogo2.jpg
Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
To request a new account, email SBGrid at: accounts (@) sbgrid dot org
Quick Links
Tutorials Table of Contents Commands
Script Library Plugins FAQ
Gallery | Covers PyMOL Cheat Sheet (PDF) Getting Help
News & Updates
POSF New PyMOL fellows announced for 2018-2019
Tutorial Plugins Tutorial updated for PyQt5
Official Release PyMOL v2.2 has been released on July 24, 2018.
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
Older News See Older News.
Did you know...

CollapseSel

= Overview =

CollapseSel is a small utility function to compress strings for selections. So, if you have a selection with residues 1+2+3+4+20+21+22+100-120 this will return, 1-4+20-22+100-120.

CollapseIDs is a small utility function to compress strings for an array of IDs. This does NOT have the logic for detecting duplicates, CollapseSel does.

Example

run /dir/to/collapseSel.py
fetch 1cll
select EE, resn GLU
print collapseSel("EE")
#
# and PyMOL should output:
#
# 6-7+11+14+31+45+47+54+67+82-84+87+104+114+119-120+123+127+139-140
#

The Code

<source lang="python"> import pymol from pymol import stored

def collapseIDs(ids): """ Helper function to make a smart list of IDs: eg turns 1+2+3+4+5 into 1-5. """ rVal = [] if len(ids)==0: return ""

scanning=False anchor = 0 start = 0 # 1-5 7-10 12 21-23 for cur in range(0,len(ids)-1): if ids[cur]+1 == ids[cur+1]: if scanning: scanning=True continue else: scanning=True start = cur else: if ..→

A Random PyMOL-generated Cover. See Covers.


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