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Open Babel Python Bindings
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==========================
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This is a Python interface to the Open Babel chemistry library.
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Open Babel is a chemical toolbox designed to speak the many languages
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of chemical data. It's an open, collaborative project allowing anyone
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to search, convert, analyze, or store data from molecular modeling,
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chemistry, solid-state materials, biochemistry, or related areas.
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For installation instructions, tutorials and examples, please visit the
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`Open Babel website <http://openbabel.org/wiki/Python>`_.
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This package provides two Python modules that can be used to access the
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functionality of Open Babel toolkit:
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- The `openbabel <http://openbabel.org/docs/dev/UseTheLibrary/PythonDoc.html>`_
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module: A wrapper that is automatically generated using the SWIG package
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and provides access to almost all of the Open Babel interfaces via Python,
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including the base classes OBMol, OBAtom, OBBond, and OBResidue, as well
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as the conversion framework OBConversion.
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- The `pybel <http://openbabel.org/docs/dev/UseTheLibrary/Python_Pybel.html>`_
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module: A lightweight wrapper around the classes and methods in the
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openbabel module. Pybel provides more convenient and Pythonic ways to
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access the Open Babel toolkit.
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Dependencies
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------------
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- Python 2.4 or a more recent version.
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- Open Babel 2.3.0 or a more recent version.
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Installation
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------------
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**Option 1**: Use `pip <http://www.pip-installer.org/en/latest/>`_.
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::
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pip install openbabel
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**Option 2**: Download the latest release and install yourself.
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::
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tar -xzvf openbabel-1.8.tar.gz
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cd openbabel-1.8
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python setup.py install
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**Option 3**: While building Open Babel itself.
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::
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cd openbabel
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mkdir ob-build
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cd ob-build
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cmake -DRUN_SWIG=ON -DPYTHON_BINDINGS=ON ..
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make install
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Copyright and Licence
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---------------------
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- Copyright (C) 2005-2007 Geoffrey R. Hutchison babel@geoffhutchison.net
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- Some portions Copyright (C) 2006-2010 Noel O'Boyle
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This Python module is part of the `Open Babel project
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<http://openbabel.org/>`_.
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Open Babel is distributed under the GNU General Public License (GPL).
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This program is free software; you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation version 2 of the License. Full details
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can be found in the file "COPYING" which should be included in your
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distribution.
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