Gyration tensor

From PyMOLWiki
Revision as of 19:11, 2 February 2012 by Venky (talk | contribs)
Jump to navigation Jump to search
The printable version is no longer supported and may have rendering errors. Please update your browser bookmarks and please use the default browser print function instead.
Type PyMOL Plugin
Download git://github.com/VenkyKrishnamani/gyration_tensor.git
Author(s) Venkatramanan Krishnamani
License -
This code has been put under version control in the project Pymol-script-repo

Introduction

This program calculates and visualizes the gration tensors of a protein (based on geometry) for each chain in the PDB file.


How to get it

git clone git://github.com/VenkyKrishnamani/gyration_tensor.git

Required Dependencies on Linux and Mac OS X

sudo apt-get install python-tk python-numpy

Installing on Linux

  • Navigate to plugins > install
  • Locate the downloaded gyration_tensor.py file in the dialogbox and select 'OK'
  • Quit and Restart 'pymol'

Usage

  • Launch PyMOL
  • Navigate to Plugins > Contact Map Visualizer in PyMOL
  • When the first dialog box pops up, select PDB file and select 'OK'.
  • The plugin calculates and outputs the Magnitude and Direction of the tensors in the debug window and draws the corresponding tensors as a cgo object in the PyMOL opengl window.

Screenshot

Gyration tensor.png

Requests for features are welcome


Copyright

# Copyright Notice
# ================
# 
# The PyMOL Plugin source code in this file is copyrighted, but you are
# free to use and copy it as long as you don't change or remove any of
# the copyright notices.
# 
# -----------------------------------------------------------------------------------
# This PyMOL Plugin Gyration Tensor is
# Copyright (C) 2012 by Venkatramanan Krishnamani <venks@andrew.cmu.edu>
# 
#                        All Rights Reserved
# 
# Permission to use, copy, modify, distribute, and distribute modified
# versions of this software and its documentation for any purpose and
# without fee is hereby granted, provided that the above copyright
# notice appear in all copies and that both the copyright notice and
# this permission notice appear in supporting documentation, and that
# the name(s) of the author(s) not be used in advertising or publicity
# pertaining to distribution of the software without specific, written
# prior permission.
# 
# THE AUTHOR(S) DISCLAIM ALL WARRANTIES WITH REGARD TO THIS SOFTWARE,
# INCLUDING ALL IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS.  IN
# NO EVENT SHALL THE AUTHOR(S) BE LIABLE FOR ANY SPECIAL, INDIRECT OR
# CONSEQUENTIAL DAMAGES OR ANY DAMAGES WHATSOEVER RESULTING FROM LOSS OF
# USE, DATA OR PROFITS, WHETHER IN AN ACTION OF CONTRACT, NEGLIGENCE OR
# OTHER TORTIOUS ACTION, ARISING OUT OF OR IN CONNECTION WITH THE USE OR
# PERFORMANCE OF THIS SOFTWARE.
#