Difference between revisions of "Main Page"

Type	Python Script
Download	cyspka.py
Author(s)	Troels E. Linnet
License	BSD
	This code has been put under version control in the project Pymol-script-repo

Revision as of 05:05, 5 March 2021

hosted by

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
Official Release	PyMOL v2.4 has been released on May 20, 2020.
Python 3	New Python 3 compatibility guide for scripts and plugins
POSF	New PyMOL fellows announced for 2018-2019
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...

Cyspka

Introduction

This script is an experimental surface cysteine pKa predictor.
The script is solely based on the work by:

Predicting Reactivities of Protein Surface Cysteines as Part of a Strategy for Selective Multiple Labeling.
Maik H. Jacob, Dan Amir, Vladimir Ratner, Eugene Gussakowsky, and Elisha Haas.
Biochemistry. Vol 44, p. 13664-13672, doi:10.1021/bi051205t

Questions to the article should be send to Maik Jacob.

Overview

The authors Jacob et al. were able to describe a computational algorithm that could predict the reactivity of surface cysteines. The algorithm was based on reaction rates with Ellmans reagent, Riddles et al., on 26 single cysteine mutants of adenylate kinase. The authors could predict the reactivity of the cysteines ..→

A Random PyMOL-generated Cover. See Covers.

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-|+ style="font-size:210%; font-weight: bold; color:#032d45; text-align:center; padding: 5px; margin-bottom: 4px;" | Welcome to the PyMOL Wiki!
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+|}
+{| align="center" style="padding-bottom: 3em;"
+|+ style="font-size:210%; font-weight: bold; color:#000000; text-align:center; padding: 5px; margin-bottom: 4px;" | Welcome to the PyMOL Wiki!
+|- style="text-align:center; font-weight: normal; color: #000000; font-size: 120%; font-family: sans-serif;"
 | The community-run support site for the [http://pymol.org PyMOL] molecular viewer.
-|- style="text-align:center; font-weight:bold; color: #6d6003; font-size: 140%; font-style: italic; font-family: serif;"
+|- style="text-align:center; font-weight:normal; color: #000000; font-size: 120%; font-family: sans-serif;"
-| New accounts: email jason (dot) vertrees (@) gmail dot com
+| To request a new account, email SBGrid at:  accounts (@) sbgrid dot org
-|- style="text-align:center; font-weight:bold; color: #6d6003; font-size: 140%; font-style: italic; font-family: serif;"
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-| style="font-size: 1.1em; color #61021F; padding: 0.5em 1em 0.5em 3em;"|'''[[:Category:Tutorials|Tutorials]]''' || '''[[TOPTOC|Table of Contents]]''' || '''[[:Category:Commands|Commands]]'''
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+| style="font-size: 1.1em; font-weight: normal; color #48A2B4; padding: 0.5em 1em 0.5em 3em;"|'''[[Gallery]]''' | '''[[Covers]]'''
 ||'''[[CheatSheet|PyMOL Cheat Sheet]]''' (''[[Media:PymolRef.pdf|PDF]]'')
-||'''[[GoogleSearch]]'''
+||'''[[PyMOL_mailing_list|Getting Help]]'''
 |}
@@ Line 25: / Line 29: @@
 |+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News &amp; Updates
 |-
-! 3D using Geforce
+! Official Release
-| 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.
+| [https://pymol.org PyMOL v2.4 has been released] on May 20, 2020.
-|-
-! 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 [[Movie_pdf|generating movie PDFs]] using .mpg movies from PyMOL.
-|-
-! New Script
-| [[Cluster_Count|Cluster Count]] calculates statistics on the B-values for all atoms in the selected object.
-|-
-! New Script
-| [[Make_Figures|Make Figures]] aids you in making publication quality figures for the currently displayed scene.
-|-
-! New Script
-| [[DistancesRH|Distances RH]]
-|-
-! PyMOL on the iPad
-| PyMOL is now available on the iPad as a free download from the AppStore. See [http://pymol.org/mobile 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 [http://xquartz.macosforge.org/landing/ 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
+! Python 3
-| [[set_phipsi]] can set phi/psi angles for all residues in a selection
+| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
 |-
-! New Script
+! POSF
-| [[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.
+| [https://pymol.org/fellowship New PyMOL fellows announced for 2018-2019]
 |-
-! New Script
+! Tutorial
-| [[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!
+| [[Plugins Tutorial]] updated for PyQt5
-|-
-! New Script
-| [[cyspka]] is an experimental surface cysteine pKa predictor.
 |-
 ! New Plugin
-| [[Contact_Map_Visualizer]] visualize residues corresponding to the contact map. See [[CMPyMOL]].
+| [[PICv|PICv]] is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
-|-
-! New Script
-| [[spectrum_states]] colors states of multi-state object
-|-
-! New Script
-| [[TMalign]] is a wrapper for the TMalign program
-|-
-! Gallery Updates
-| The [[Gallery|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
+! Selection keywords
-| Instructions for [[3d_pdf|generating 3D PDFs]] using PyMOL.
+| New [[Selection Algebra|polymer.protein and polymer.nucleic]] selection keywords. Thanks everyone who participated in the [https://goo.gl/forms/r0Ck03VTytZQxN4A2 poll]!
 |-
-! Wiki Update
+! Plugin Update
-| Wiki has been updated. Please report any problems to the sysops.
+| [[MOLE 2.0: advanced approach for analysis of biomacromolecular channels|MOLE 2.5]] is an updated version of channel analysis software in PyMOL
-|-
-! 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.
+| [[dssr_block]] is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
-|-
-! 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 [http://propka.ki.ku.dk/ 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
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Difference between revisions of "Main Page"

Revision as of 05:05, 5 March 2021

Cyspka

Introduction

Overview

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