Volume 4 Supplement 1

7th German Conference on Chemoinformatics: 25 CIC-Workshop

Open Access

TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories

  • Martin Brehm1 and
  • Barbara Kirchner1
Journal of Cheminformatics20124(Suppl 1):F1

DOI: 10.1186/1758-2946-4-S1-F1

Published: 1 May 2012

We present TRAVIS ("TRajectory Analyzer and VISualizer"), a free program package for analyzing and visualizing Monte Carlo and molecular dynamics trajectories [1]. The aim of TRAVIS is to collect as many analyses as possible in one program, creating a powerful tool and making it unnecessary to use many different programs for evaluating simulations. This should greatly rationalize and simplify the workflow of analyzing trajectories. TRAVIS is written in C++, open-source freeware and licensed under the terms of the GNU General Public License (GPLv3). It is easy to install (platform independent, no external libraries) and easy to use. On this poster, we present some of the algorithms that are implemented in TRAVIS - many of them widely known for a long time, but some of them also to appear in literature for the first time. All shown analyses only require a standard MD trajectory as input data.

Figure 1

Authors’ Affiliations

(1)
Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig

References

  1. Brehm M, Kirchner B: TRAVIS - A free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories. J Chem Inf Model. 2011, 51: 2007-2023. doi:10.1021/ci200217wView ArticleGoogle Scholar

Copyright

© Brehm and Kirchner; licensee BioMed Central Ltd. 2012

This article is published under license to BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.