From Open Babel
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This page provides links to all the information you need to use OpenBabel from the Python programming language.

  • If you have any problems or questions, send an email to [email protected]
  • Read the Pybel paper for background and examples of use. Don't forget to cite the Pybel paper if you use Pybel to obtain results for publication:
N. M. O'Boyle, C. Morley and G. R. Hutchison. Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit Chem. Cent. J. 2008, 2, 5.

If you find Pybel useful, you may also be interested in Cinfony which allows you to access several cheminformatics toolkits using the same Python API as Pybel, from both regular Python and Jython.