Open Babel iconOpen Babel 2.3.2

A cross-platform and Open Source chemistry toolkit and library designed to interconvert between multiple file formats
Open Babel is an open source, collaborative and platform-independent library software that provides a chemical toolbox specifically crafted to recognize numerous languages of chemical data.

With Open Babel, users will be able to search, analyze, convert, and store data from chemistry, molecular modeling, biochemistry, as well as other related areas. It supports a wide range of common chemical file formats, including Mol2, SDF/MOL, PDB, XYZ, SMILES, and CML.

In addition, Open Babel provides a full featured programmer's toolkit, chemical MIME support, SMARTS matcher, flexible atom/bond typer, hydrogen deletion and addition, bitvector class, matrix and vector transformations, as well as a molecular test suite.

It’s a true cross-platform software that supports GNU/Linux, BSD, Solaris, SGI, Microsoft Windows, and Mac OS X operating systems.

last updated on:
January 8th, 2014, 15:26 GMT
developed by:
Geoff Hutchison
license type:
GPL (GNU General Public License) 
ROOT \ Science and Engineering \ Chemistry


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What's New in version 2.2.2
  • This release represents a major bug-fix release and is a stable upgrade, strongly recommended for all users of Open Babel. While there may not be many new features, many crashes and other bugs have been fixed since 2.2.1.
  • Upgraded to the new InChI 1.02 release to produce standardized InChI and InChIKey output.
  • Fixed many stereochemistry errors when reading/writing SMILES. This is part of a larger project which will be finished in the 2.3 release.
  • Fixed compilation and installation on Cygwin and MinGW platforms.
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