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OpenBabel

  • Description

    a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

  • Usage

    To list all executables provided by OpenBabel, run: $ sbgrid-list openbabel Copy to clipboard

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install openbabel Copy to clipboard Available operating systems: Linux 64, OS X INTEL

  • Primary Citation*

    N. M. O'Boyle, M. Banck, C. A. James, C. Morley, T. Vandermeersch, and G. R. Hutchison. 2011. Open Babel: An open chemical toolbox. Journal of Cheminformatics. 3(33).


    • *Full citation information available through

  • Keywords

    Other

  • Default Versions

    Linux 64:  3.1.1 (669.8 MB)
    OS X INTEL:  3.1.1 (432.3 MB)

  • Other Versions

      Linux 64:

      2.3.2 (107.3 MB) , 2.4.1 (521.4 MB)

    • OS X INTEL:

      2.3.2 (34.1 MB) , 2.4.1 (419.9 MB)

  • Developers

    Geoff Hutchison

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