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Pytim: A python package for the interfacial analysis of molecular simulations

Pytim is a versatile python framework for the analysis of interfacial properties in molecular simulations. The code implements several algorithms for the identification of instantaneous interfaces of arbitrary shape, and analysis tools written specifically for the study of interfacial properties, su...

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Detalles Bibliográficos
Publicado en:J Comput Chem
Autores principales: Sega, Marcello, Hantal, György, Fábián, Balázs, Jedlovszky, Pál
Formato: Artigo
Lenguaje:Inglês
Publicado: John Wiley and Sons Inc. 2018
Materias:
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC6221047/
https://ncbi.nlm.nih.gov/pubmed/30306571
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.25384
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