Difference between revisions of "Main Page"

Type	Python Module
Download	inertia_tensor.py
Author(s)	Mateusz Maciejewski
License	MIT
	This code has been put under version control in the project Pymol-script-repo

Latest revision as of 03:21, 22 June 2021

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News & Updates
Official Release	PyMOL v2.5 has been released on May 10, 2021.
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...

Inertia tensor

This script will draw the eigenvectors of the inertia tensor of the selected part of the molecule.

Usage

tensor selection, name, model

Examples

To draw the inertia tensor of the first model in PDB file 4B2R do:

fetch 4b2r, async=0
hide lines
show cartoon
run inertia_tensor.py
tensor 4b2r & n. n+ca+c & i. 569-623, tensor_dom11, 1

Reference

A figure generated using this script can be seen in the following reference:

Estimation of interdomain flexibility of N-terminus of factor H using residual dipolar couplings. Maciejewski M, Tjandra N, Barlow PN. Biochemistry. 50(38) 2011, p. 8138-49, fig. 1 doi:10.1021/bi200575b

A Random PyMOL-generated Cover. See Covers.

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 ! Official Release
-| [http://pymol.org PyMOL v1.8.6 has been released] on March 9, 2017.
+| [https://pymol.org PyMOL v2.5 has been released] on May 10, 2021.
 |-
-! 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
+! POSF
-| [[dssr_block]] is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
+| [https://pymol.org/fellowship New PyMOL fellows announced for 2018-2019]
-|-
-! New Plugin
-| [[Lisica|LiSiCA]] is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm.
-|-
-! Official Release
-| [http://pymol.org 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
+! 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
-| [[PyANM|PyANM]] is a new plugin for easier Anisotropic Network Model (ANM) building and visualising in PyMOL.
+| [[PICv|PICv]] is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
 |-
-! 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