Open Babel

Last updated
Open Babel
Developer(s) Open Babel development team
Initial release2 June 2005;19 years ago (2005-06-02)
Stable release
3.1.1 [1]   OOjs UI icon edit-ltr-progressive.svg / 8 May 2020;4 years ago (8 May 2020)
Repository www.github.com/openbabel/openbabel
Written in C, C++ (wxWidgets [2] )
Operating system Windows, macOS, Linux, Android
Platform IA-32, x86-64
Available inEnglish
Type Cheminformatics, molecular modelling
License GPL 2.0
Website www.openbabel.org

Open Babel is computer software, a chemical expert system mainly used to interconvert chemical file formats. [3]

Contents

About

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, Linux, macOS, and Android. It is free and open-source software released under a GNU General Public License (GPL) 2.0.

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."

History

Open Babel 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 programming library called OBabel.

Major features

See also

Related Research Articles

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References

  1. "Release 3.1.1". 8 May 2020. Retrieved 9 May 2020.
  2. "Debian -- Details of package openbabel-gui in jessie" . Retrieved 2017-03-10.
  3. 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. doi: 10.1186/1758-2946-3-33 . PMC   3198950 . PMID   21982300.
  4. Yoshikawa, Naruki; Hutchison, Geoffrey R. (1 August 2019). "Fast, efficient fragment-based coordinate generation for Open Babel". Journal of Cheminformatics. 11 (1): 49. doi: 10.1186/s13321-019-0372-5 . PMC   6676618 . PMID   31372768.
  5. "Open Babel - the chemistry toolbox — Open Babel openbabel-3-1-1 documentation". openbabel.org. Retrieved 2024-02-18.
  6. Guha, R.; Howard, M. T.; Hutchison, G. R.; Murray-Rust, P.; Rzepa, H.; Steinbeck, C.; Wegner, J.; Willighagen, E. L. (2006). "The Blue Obelisk - Interoperability in Chemical Informatics". Journal of Chemical Information and Modeling. 46 (3): 991–998. doi:10.1021/ci050400b. PMC   4878861 . PMID   16711717.