Cuby: An integrative framework for computational chemistry

Cuby is a computational chemistry framework written in the Ruby programming language. It provides unified access to a wide range of computational methods by interfacing external software and it implements various protocols that operate on their results. Using structured input files, elementary calcu...

Celý popis

Uložené v:

Podrobná bibliografia
Vydané v:	Journal of computational chemistry Ročník 37; číslo 13; s. 1230 - 1237
Hlavný autor:	ezac, Jan
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	United States Blackwell Publishing Ltd 15.05.2016 Wiley Subscription Services, Inc
Predmet:	Chemistry Computational chemistry Computer simulation datasets Downloading Mathematical analysis Molecular dynamics Molecular structure Object oriented programming Programmers Programming Programming languages QM/MM Ruby Simulation Software software framework Test procedures workflow automation QM/MM datasets workflow automation Ruby software framework
ISSN:	0192-8651, 1096-987X, 1096-987X
On-line prístup:	Získať plný text
Tagy:	Pridať tag Žiadne tagy, Buďte prvý, kto otaguje tento záznam!

Buďte prvý, kto okomentuje tento záznam!