TRAVIS - Trajectory Analyzer and Visualizer

<body> <h3>Your Browser doesn't support frames. You can reach all the pages anyway by accessing the <a href="inhalt.html">menu</a>.</h3> <h2>TRAVIS - Trajectory Analyzer and Visualizer</h2> TRAVIS is a free tool for analyzing and visualizing trajectories from all kinds of molecular dynamics or monte carlo simulations.<br><br> It is intended to be <b>easy to install</b> and <b>easy to use</b>.<br><br> For some examples, see the <i>Gallery</i> or the <i>Citations</i> of TRAVIS.<br><br> TRAVIS is written in C++, <b>open-source freeware</b> and distributed under the terms of the GNU GPL (see <i>License</i>). <br><br> <h3>If you are interested, please read our article about TRAVIS:</h3> <a href="http://pubs.acs.org/doi/abs/10.1021/ci200217w" target="_blank">Martin Brehm and B. Kirchner: "TRAVIS - A free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories" <br>J. Chem. Inf. Model., 2011, DOI 10.1021/ci200217w </a><br> <h3>Abstract of the Article:</h3> We present TRAVIS ("<b>TR</b>ajectory <b>A</b>nalyzer and <b>VIS</b>ualizer"), a free program package for analyzing and visualizing Monte Carlo and molecular dynamics trajectories. 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. In this article, 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. <h3>About the Author</h3> <p> Please visit my <a href="https://brehm-research.de" target="_blank">Research Portal</a>. </p> <table border="0"> <tr> <td align="center" valign="top"> <img src="images/brehm.jpg" alt="Martin Brehm" title="Martin Brehm" hspace="0" vspace="3"> </td> <td width="30px"> </td> <td valign="top" hspace="20"> <br>Martin Brehm studied Chemistry at the University of Leipzig and finished his Bachelor and Master degree there in 2009.<br><br> Since 10/2009 he is a PhD student in the <a href="http://www.uni-leipzig.de/~quant" target="_blank">group of Prof. Barbara Kirchner.</a> </td> </tr> </table> <br> <h3>Credits</h3> <table border="1" bgcolor="#003060" width="*" cellpadding="4"> <tr><td><b>Martin Brehm</b></td> <td>Main Developer (2009-now)</td></tr> <tr><td><b>Martin Thomas</b></td> <td>Main Developer (2012-now)</td></tr> <tr><td><b>Barbara Kirchner</b></td> <td>Group Leader</td></tr> <tr><td colspan="2"><p style="font-size:6pt"> </p></td> </tr> <tr><td><b>Marc Brüssel</b></td> <td>Testing and Debugging</td></tr> <tr><td><b>Philipp di Dio</b></td> <td>Atom Parameters and Math Support</td></tr> <tr><td><b>Dorothea Golze</b></td> <td>Testing and Debugging</td></tr> <tr><td><b>Daniela Kerle</b></td> <td>Name Finding</td></tr> <tr><td><b>Miriam Kohagen</b></td> <td>Testing and Debugging</td></tr> <tr><td><b>Fred Malberg</b></td> <td>Leading Bug Finder :-)</td></tr> <tr><td><b>Matthias Schöppke  </b></td> <td>Testing and new Ideas</td></tr> <tr><td><b>Jens Thar</b></td> <td>Fruitful Discussion and Scientific Input</td></tr> <tr><td><b>Henry Weber</b></td> <td>Testing, Debugging and creative Ideas</td></tr> </table> <h3>Some interesting links:</h3> <table border="1" bgcolor="#003060" width="*" cellpadding="8" align="center"> <colgroup><col width="*"></colgroup> <tr><th><B>Link</B></th></tr> <tr><td><a href="http://www.uni-leipzig.de/~quant" target="_blank">Kirchner Group</a></td></tr> <tr><td><a href="http://www.uni-leipzig.de/~pci" target="_blank">Wilhelm Ostwald Institute for Physical and Theoretical Chemistry</a></td></tr> <tr><td><a href="http://www.uni-leipzig.de" target="_blank">University of Leipzig</a></td></tr> </table> </body>