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
 
|-
 
|-
! Official Release
+
! Python 3
| [http://pymol.org PyMOL v1.8.4 has been released] on October 4, 2016.
+
| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
|-
 
! New Script
 
| [[dssr_block]] is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
 
|-
 
! New Plugin
 
| [[Lisica|LiSiCA]] is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm.
 
 
|-
 
|-
 
! Official Release
 
! Official Release
| [http://pymol.org PyMOL v1.8.0 has been released] on Nov 18, 2015.
+
| [https://pymol.org PyMOL v2.3 has been released] on February 11, 2019.
 
|-
 
|-
! PyMOL Open-Source Fellowship
+
! POSF
| Schrödinger is now accepting applications for the PyMOL Open-Source Fellowship program! Details on http://pymol.org/fellowship
+
| [https://pymol.org/fellowship New PyMOL fellows announced for 2018-2019]
 
|-
 
|-
! Official Release
+
! Tutorial
| [http://pymol.org PyMOL, AxPyMOL, and JyMOL v1.7.6 have all been released] on May 4, 2015.
+
| [[Plugins Tutorial]] updated for PyQt5
 
|-
 
|-
 
! New Plugin
 
! New Plugin
| [[PyANM|PyANM]] is a new plugin for easier Anisotropic Network Model (ANM) building and visualising in PyMOL.
+
| [[ProBiS_H2O|ProBiS H2O]] is a new plugin for identification of conserved waters in protein structures.
 
|-
 
|-
! New Plugin
+
! Selection keywords
| [[Bondpack]] is a collection of PyMOL plugins for easy visualization of atomic bonds.
+
| New [[Selection Algebra|polymer.protein and polymer.nucleic]] selection keywords. Thanks everyone who participated in the [https://goo.gl/forms/r0Ck03VTytZQxN4A2 poll]!
 
|-
 
|-
! New Plugin
+
! Plugin Update
| [[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.
+
| [[MOLE 2.0: advanced approach for analysis of biomacromolecular channels|MOLE 2.5]] is an updated version of channel analysis software in PyMOL
 
|-
 
|-
! 3D using Geforce
+
! New Script
| 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.
+
| [[dssr_block]] is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
 
|-
 
|-
 
! Older News
 
! Older News

Latest revision as of 05:27, 19 February 2019

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
Python 3 New Python 3 compatibility guide for scripts and plugins
Official Release PyMOL v2.3 has been released on February 11, 2019.
POSF New PyMOL fellows announced for 2018-2019
Tutorial Plugins Tutorial updated for PyQt5
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...

Save2traj

Note: See save_traj for an improved version of this script.

Description

WARNING: This script is still under development so please use at your own risk!

This script can be used to generate a DCD trajectory file after you have loaded multiple states into a single object.

Currently, the only supported trajectory format is DCD but there will be support for other formats in the future.

USAGE

load the script using the run command

save2traj (selection, name)

"name" corresponds to the output name and ".dcd" will be appended to the end of the name automatically.

The trajectory file that is generated could be numbered differently than your PDB file since PyMOL modifies the RESID values. Thus, it may be necessary to open your original PDB file and save the molecule (with modified RESIDs) to a new file. Then, load the trajectory into that new file. Alternatively, one could ..→

A Random PyMOL-generated Cover. See Covers.