ACPYPE - AnteChamber PYthon Parser interfacE

BACKGROUND: ACPYPE (or AnteChamber PYthon Parser interfacE) is a wrapper script around the ANTECHAMBER software that simplifies the generation of small molecule topologies and parameters for a variety of molecular dynamics programmes like GROMACS, CHARMM and CNS. It is written in the Python programm...

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Detalles Bibliográficos
Autores principales: Sousa da Silva, Alan W, Vranken, Wim F
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Technical Note
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3461484/
https://www.ncbi.nlm.nih.gov/pubmed/22824207
http://dx.doi.org/10.1186/1756-0500-5-367

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3461484/
https://www.ncbi.nlm.nih.gov/pubmed/22824207
http://dx.doi.org/10.1186/1756-0500-5-367

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