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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
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nbehrnd/openbabel
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Open Babel is a chemical toolbox designed to speak the many languagesof chemical data. It's an open, collaborative project allowing anyoneto 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 modifyit under the terms of the GNU General Public License as published bythe Free Software Foundation version 2 of the License. Full detailscan be found in the file "COPYING" which should be included in yourdistribution.
For more information, check theOpen Babel website.