MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

MDAnalysis is an object‐oriented library for structural and temporal analysis of molecular dynamics (MD) simulation trajectories and individual protein structures. It is written in the Python language with some performance‐critical code in C. It uses the powerful NumPy package to expose trajectory d...

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Vydané v:	Journal of computational chemistry Ročník 32; číslo 10; s. 2319 - 2327
Hlavní autori:	Michaud-Agrawal, Naveen, Denning, Elizabeth J., Woolf, Thomas B., Beckstein, Oliver
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Hoboken Wiley Subscription Services, Inc., A Wiley Company 30.07.2011 Wiley Subscription Services, Inc
Predmet:	analysis Computational Biology membrane systems Molecular Dynamics Simulation molecular dynamics simulations Molecular structure object-oriented design Programmers Programming languages Proteins Python programming language Simulation Software Software packages Syntax UNIX molecular dynamics simulations software object-oriented design proteins membrane systems analysis Python programming language
ISSN:	0192-8651, 1096-987X, 1096-987X
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