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...

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Bibliographic Details
Published in:	Journal of computational chemistry Vol. 37; no. 13; pp. 1230 - 1237
Main Author:	ezac, Jan
Format:	Journal Article
Language:	English
Published:	United States Blackwell Publishing Ltd 15.05.2016 Wiley Subscription Services, Inc
Subjects:	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
Online Access:	Get full text
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