Introduction

GSATools is a free software package to analyze conformational ensembles and to detect functional motions in proteins by means of a structural alphabet. The software integrates with the widely used GROMACS simulation package and can generate a range of graphical outputs. Three applications can be supported: (i) investigation of the conformational variability of local structures; (ii) detection of allosteric communication; and (iii) identification of local regions that are critical for global functional motions. These analyses provide insights into the dynamics of proteins and allow for targeted design of functional mutants in theoretical and experimental studies.The C source code of the GSATools, along with a set of pre-compiled binaries, is freely available under GNU General Public License from http://mathbio.nimr.mrc.ac.uk/wiki/GSATools.

Publications

  1. GSATools: analysis of allosteric communication and functional local motions using a structural alphabet.
    Cite this
    Pandini A, Fornili A, Fraternali F, Kleinjung J, 2013-08-01 - Bioinformatics (Oxford, England)

Credits

  1. Alessandro Pandini
    Developer

    Randall Division of Cell and Molecular Biophysics, King's College London

  2. Arianna Fornili
    Developer

  3. Franca Fraternali
    Developer

  4. Jens Kleinjung
    Investigator

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Summary
AccessionBT000142
Tool TypeApplication
Category
PlatformsLinux/Unix
TechnologiesC
User InterfaceTerminal Command Line
Download Count0
Submitted ByJens Kleinjung