openbabel version 1.2 ================================ This is a Python interface to the Open Babel chemistry library. 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. The wrapper is generated using the SWIG package and provides access to almost all of the Open Babel interfaces via Python, including the base classes OBMol, OBAtom, OBBond, and OBResidue, as well as the conversion framework OBConversion. For more details, tutorials, example code, etc., please visit the Open Babel website: INSTALLATION To install this module, type the following (assuming you have already installed Open Babel): python setup.py build python setup.py install (Well, in theory that should work. Suggestions and complaints welcome.) DEPENDENCIES python-2.3 or a more recent version. openbabel-2.1 or a more recent version. Note that if you are trying to build/run this Python code in the Open Babel source/build directory BEFORE you install Open Babel, you may encounter problems if the Python module is linked against an older libopenbabel. If you encounter problems compiling, linking, or running this module, make sure you have run "make install" for the latest Open Babel package and THEN rebuild this Python module. COPYRIGHT AND LICENSE Copyright (C) 2005-2007 Geoffrey R. Hutchison Some portions Copyright (C) 2006-2007 Noel O'Boyle This Python module is part of the Open Babel project. 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.