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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

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Open Babel README version 2.3.0

NOTE: This copy of OpenBabel has been modified to produce v2000 mol files with v3000 aromatic bonds rather than the standard Kekulé arrangment of alternating single and double bonds.


Open Babel is 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.

  • Ready-to-use programs, and complete programmer's toolkit
  • Read, write and convert over 90 chemical file formats
  • Filter and search molecular files using SMARTS and other methods
  • Generate 2D and 3D coordinates for SMILES, InChI and other formats
  • Supports molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry...

Open Babel is distributed under the GNU General Public License (GPL). This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License. Full details can be found in the file "COPYING" which should be included in your distribution.

For more information, check the [Open Babel website]( <http://openbabel.org/).

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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

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