cclauss / openbabel

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

Open Babel

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.