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Rubabel: wrapping open Babel with Ruby.

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Názov: Rubabel: wrapping open Babel with Ruby.
Autori: Smith, Rob1 2robsmith@gmail.com, Williamson, Ryan1, Ventura, Dan1, Prince, John T.2 jtprince@chem.byu.edu
Zdroj: Journal of Cheminformatics. 2013, Vol. 5 Issue 1, p1-10. 10p. 3 Diagrams, 2 Charts, 3 Graphs.
Predmety: *RUBY (Computer program language), *CHEMINFORMATICS, *WEB-based user interfaces, *SOFTWARE shells
Abstrakt: Background: The number and diversity of wrappers for chemoinformatic toolkits suggests the diverse needs of the chemoinformatic community. While existing chemoinformatics libraries provide a broad range of utilities, many chemoinformaticians find compiled language libraries intimidating, time-consuming, arcane, and verbose. Although high-level language wrappers have been implemented, more can be done to leverage the intuitiveness of object-orientation, the paradigms of high-level languages, and the extensibility of languages such as Ruby. We introduce Rubabel, an intuitive, object-oriented suite of functionality that substantially increases the accessibily of the tools in the Open Babel chemoinformatics library. Results: Rubabel requires fewer lines of code than any other actively developed wrapper, providing better object organization and navigation, and more intuitive object behavior than extant solutions. Moreover, Rubabel provides a convenient interface to the many extensions currently available in Ruby, greatly streamlining otherwise onerous tasks such as creating web applications that serve up Rubabel functionality. Conclusions: Rubabel is powerful, intuitive, concise, freely available, cross-platform, and easy to install. We expect it to be a platform of choice for new users, Ruby users, and some users of current solutions. [ABSTRACT FROM AUTHOR]
Databáza: Academic Search Index
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Abstrakt:Background: The number and diversity of wrappers for chemoinformatic toolkits suggests the diverse needs of the chemoinformatic community. While existing chemoinformatics libraries provide a broad range of utilities, many chemoinformaticians find compiled language libraries intimidating, time-consuming, arcane, and verbose. Although high-level language wrappers have been implemented, more can be done to leverage the intuitiveness of object-orientation, the paradigms of high-level languages, and the extensibility of languages such as Ruby. We introduce Rubabel, an intuitive, object-oriented suite of functionality that substantially increases the accessibily of the tools in the Open Babel chemoinformatics library. Results: Rubabel requires fewer lines of code than any other actively developed wrapper, providing better object organization and navigation, and more intuitive object behavior than extant solutions. Moreover, Rubabel provides a convenient interface to the many extensions currently available in Ruby, greatly streamlining otherwise onerous tasks such as creating web applications that serve up Rubabel functionality. Conclusions: Rubabel is powerful, intuitive, concise, freely available, cross-platform, and easy to install. We expect it to be a platform of choice for new users, Ruby users, and some users of current solutions. [ABSTRACT FROM AUTHOR]
ISSN:17582946
DOI:10.1186/1758-2946-5-35