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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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Detalles Bibliográficos
Main Authors: Michaud-Agrawal, Naveen, Denning, Elizabeth J., Woolf, Thomas B., Beckstein, Oliver
Formato: Artigo
Idioma:Inglês
Publicado: 2011
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3144279/
https://ncbi.nlm.nih.gov/pubmed/21500218
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21787
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