MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations

Richard J. Gowers, Max Linke, Jonathan Barnoud, Tyler J. E. Reddy, Manuel N. Melo, Sean L. Seyler, Jan J. Domanski, David L. Dotson, Sébastien Buchoux, Ian M. Kenney, Oliver Beckstein. MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations. In Sebastian Benthall, Scott Rostrup, editors, Proceedings of the 15th Python in Science Conference 2016 (SciPy 2016), Austin, Texas, July 11 - July 17, 2016. pages 98-105, scipy.org, 2016. [doi]

Abstract

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