From Wikipedia, the free encyclopedia
Jump to: navigation, search
Open Babel logo
Developer(s) OpenBabel development team
Stable release 2.3.1 (October 17, 2011 (2011-10-17)) [±]
Written in C++
Operating system Cross-platform
Type Cheminformatics/Molecular modelling
License GNU General Public License

OpenBabel is free software, a chemical expert system mainly used for converting chemical file formats[1]. Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling. It is available for Windows, Unix, and Mac OS. It is distributed under the GNU GPL.

The project's stated goal is: "Open Babel is a community-driven scientific project assisting both users and developers as a cross-platform program and library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data."


OpenBabel and JOELib were derived from the OELib Cheminformatics library. In turn, OELib was based on ideas in the original chemistry program Babel and an unreleased object-oriented library called "OBabel."

Major features[edit]

See also[edit]


  1. ^ O'Boyle, N. M.; Banck, M.; James, C. A.; Morley, C.; Vandermeersch, T.; Hutchison, G. R. (2011). "Open Babel: An open chemical toolbox". Journal of Cheminformatics. 3: 33. PMC 3198950Freely accessible. PMID 21982300. doi:10.1186/1758-2946-3-33. 
  2. ^


  • The Blue Obelisk-Interoperability in Chemical Informatics, Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry Rzepa, Christoph Steinbeck, Jörg K. Wegner, and Egon L. Willighagen, J. Chem. Inf. Model.; 2006; doi:10.1021/ci050400b

External links[edit]