JACOB: an enterprise framework for computational chemistry.
J Comput Chem
; 34(16): 1420-8, 2013 Jun 15.
Article
em En
| MEDLINE
| ID: mdl-23553271
ABSTRACT
Here, we present just a collection of beans (JACOB) an integrated batch-based framework designed for the rapid development of computational chemistry applications. The framework expedites developer productivity by handling the generic infrastructure tier, and can be easily extended by user-specific scientific code. Paradigms from enterprise software engineering were rigorously applied to create a scalable, testable, secure, and robust framework. A centralized web application is used to configure and control the operation of the framework. The application-programming interface provides a set of generic tools for processing large-scale noninteractive jobs (e.g., systematic studies), or for coordinating systems integration (e.g., complex workflows). The code for the JACOB framework is open sourced and is available at www.wallerlab.org/jacob.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Simulação por Computador
/
Software
/
Química
Idioma:
En
Ano de publicação:
2013
Tipo de documento:
Article