Difference between revisions of "Python"
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This page provides links to all the information you need to use OpenBabel from the Python programming language. | This page provides links to all the information you need to use OpenBabel from the Python programming language. | ||
| − | * '''[http://openbabel.org/docs/ | + | * '''[http://openbabel.org/docs/current/UseTheLibrary/Python.html Documentation]''' on using Open Babel from Python, including: |
| − | ** '''[http://openbabel.org/docs/ | + | ** '''[http://openbabel.org/docs/current/UseTheLibrary/PythonInstall.html Installation]''' |
| − | ** Using the '''[http://openbabel.org/docs/ | + | ** Using the '''[http://openbabel.org/docs/current/UseTheLibrary/PythonDoc.html openbabel module]''' |
| − | ** Using '''[http://openbabel.org/docs/ | + | ** Using '''[http://openbabel.org/docs/current/UseTheLibrary/Python_Pybel.html Pybel]''' and its '''[http://openbabel.org/docs/2.3.0/UseTheLibrary/Python_PybelAPI.html API]''' |
| − | ** '''[http://openbabel.org/docs/ | + | ** '''[http://openbabel.org/docs/current/UseTheLibrary/PythonExamples.html Examples]''' of use |
| − | * If you have any problems or questions, '''[mailto:openbabel- | + | * If you have any problems or questions, '''[mailto:openbabel-discuss@lists.sf.net send an email]''' to openbabel-discuss@lists.sf.net |
* Read the '''[http://dx.doi.org/10.1186/1752-153X-2-5 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: | * Read the '''[http://dx.doi.org/10.1186/1752-153X-2-5 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. [http://dx.doi.org/10.1186/1752-153X-2-5 Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit] ''Chem. Cent. J.'' '''2008''', ''2'', 5. | : N. M. O'Boyle, C. Morley and G. R. Hutchison. [http://dx.doi.org/10.1186/1752-153X-2-5 Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit] ''Chem. Cent. J.'' '''2008''', ''2'', 5. | ||
Revision as of 00:07, 11 October 2012
This page provides links to all the information you need to use OpenBabel from the Python programming language.
- Documentation on using Open Babel from Python, including:
- Installation
- Using the openbabel module
- Using Pybel and its API
- Examples of use
- 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.
