openbabel version 1.0 ================================ This is a Python "wrapper" to the Open Babel chemistry library. OpenBabel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling and computational chemistry. 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. The version numbering does not correspond to any particular release of Open Babel. For more information on the releases of openbabel.py, see the NEWS file. Future development will include a "glue module" to integrate with other Python chemistry projects. 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. (May work with 2.2 -- untested) openbabel-2.0 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 Geoffrey R. Hutchison 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.