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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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Bibliografiska uppgifter
I publikationen:J Comput Chem
Huvudupphovsmän: Sega, Marcello, Hantal, György, Fábián, Balázs, Jedlovszky, Pál
Materialtyp: Artigo
Språk:Inglês
Publicerad: John Wiley and Sons Inc. 2018
Ämnen:
Länkar: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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