Cargando…
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...
Autores principales: | Sega, Marcello, Hantal, György, Fábián, Balázs, Jedlovszky, Pál |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6221047/ https://www.ncbi.nlm.nih.gov/pubmed/30306571 http://dx.doi.org/10.1002/jcc.25384 |
Ejemplares similares
-
stk: A python toolkit for supramolecular assembly
por: Turcani, Lukas, et al.
Publicado: (2018) -
MOLSIM: A modular molecular simulation software
por: Jurij, Reščič, et al.
Publicado: (2015) -
Development of massive multilevel molecular dynamics simulation program, platypus (PLATform for dYnamic protein unified simulation), for the elucidation of protein functions
por: Takano, Yu, et al.
Publicado: (2016) -
RAQET: Large‐scale two‐component relativistic quantum chemistry program package
por: Hayami, Masao, et al.
Publicado: (2018) -
MkVsites: A tool for creating GROMACS virtual sites parameters to increase performance in all‐atom molecular dynamics simulations
por: Larsson, Per, et al.
Publicado: (2020)