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

Gowers, Richard; Linke, Max; Barnoud, Jonathan; Reddy, Tyler; N. Melo, Manuel; L. Seyler, Sean; Domański, Jan; Dotson, David; Buchoux, Sébastien; M. Kenney, Ian; Beckstein, Oliver

doi:10.25080/majora-629e541a-00e

Public

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

Published in Proceedings of the Python in Science Conferences • Jan 1, 2016

Authors:

Richard Gowers

Max Linke

Jonathan Barnoud

Abstract

MDAnalysis (http://mdanalysis.org) is a library for structural and temporal analysis of molecular dynamics (MD) simulation trajectories and individual protein structures. MD simulations of biological molecules have become an important tool to elucidate the relationship between molecular structure an...

Subject

Python (programming language)

Computer science

Modular design

Research Assistant

AI chat, annotations, notes & similar papers

Finding related papers...

Discussions

(0)

No comments yet

Be the first to share your thoughts!