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Chemical toolbox library (python bindings)

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:

* Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation

File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.

This package contains the Python binding.

Package version:2.3.1+dfsg-4


openbabel (2.3.1+dfsg-4) unstable; urgency=low

  [ Andreas Tille ]
  * debian/upstream: Use BibTeX Syntax for authors.

  [ Daniel Leidert ]
  * debian/control (Uploaders): Fixed my address.
    (Build-Depends): Added libcairo2-dev. Dropped python-support.
    (Depends): Added libjs-jquery for jquery.js in libopenbabel-doc.
  * debian/libopenbabel-doc.links: Added to link jquery.js.
  * debian/li


2010-10-29  Konstantin Tokarev <>

	* scripts/CMakeLists.txt: fixed behavior of build system if some of
	JNI dependencies were not found

2010-10-29  Konstantin Tokarev <>

	* scripts/CMakeLists.txt: added dependency 'openbabel' to target
	'_openbabel' (Python bindings)
	On non-Windows platfroms Python module is linked by custom script
	which is not aware of tar


This package was debianized by Michael Banck <> on
Wed, 28 Nov 2001 23:25:19 +0100.

It was downloaded from:

Upstream Authors:

    OpenEye Scientific Software, Geoff Hutchison and others.


    Portions Copyright (C) 2001-2007 Geoffrey R. Hutchison
    Portions Copyright (C) 2004-2007 by Chris Morley
    Portions Copyright

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