Main Page: Difference between revisions

From PyMOLWiki
Jump to navigation Jump to search
(Replace link to "Google search" page with link to "PyMOL mailing list" page)
(1.8 release)
Line 24: Line 24:
{| class="jtable" style="float: left; width: 90%;"
{| class="jtable" style="float: left; width: 90%;"
|+ 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
| [http://pymol.org PyMOL v1.8.0 has been released] on Nov 18, 2015.
|-
|-
! PyMOL Open-Source Fellowship
! PyMOL Open-Source Fellowship

Revision as of 16:30, 18 November 2015

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) Getting Help
News & Updates
Official Release PyMOL v1.8.0 has been released on Nov 18, 2015.
PyMOL Open-Source Fellowship Schrödinger is now accepting applications for the PyMOL Open-Source Fellowship program! Details on http://pymol.org/fellowship
Official Release PyMOL, AxPyMOL, and JyMOL v1.7.6 have all been released on May 4, 2015.
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...

FindSurfaceCharge

Type Python Module
Download scripts/findSurfaceCharge.py
Author(s) Teddy Warner
License BSD-2-Clause
This code has been put under version control in the project Pymol-script-repo

Drawing upon the findSurfaceResidues script, the findSurfaceCharge script will identify and output a list of all charged residues on the surface of a selectionand calculates the ionization state of a protein at a given pH. The charge can be calculated for either a folded or denatured protein. This function is intended to be used to give buffer conditions for mass spectrometry.

Usage

   findSurfaceCharge [selection, [pH, [folded ,[cutoff]]]]

Arguments

  • selection = str: The object or selection for which to find exposed residues {default: all}
  • pH = float: The pH to calculate the surface charge at {default: 7.0}
  • folded = bool: Whether the program should calculate the charge of a folded (True) or denatured (False) protein.
  • cutoff = float: The cutoff in square Angstroms that defines exposed or not. Those atoms with > cutoff Ang^2 ..→
A Random PyMOL-generated Cover. See Covers.