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9962917d9d
Change the python bindings package name back to 'openbabel', but make clear in the Python README that this is just the python bindings, not the main Open Babel library, just in case anyone stumbles across the PyPI page by accident.
83 lines
2.7 KiB
ReStructuredText
83 lines
2.7 KiB
ReStructuredText
Open Babel Python Bindings
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==========================
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This is a Python interface to the Open Babel chemistry library. For the
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main Open Babel project, see http://openbabel.org.
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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. For
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installation instructions, tutorials and examples, please visit the
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`Open Babel website`_.
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This package provides two Python modules that can be used to access the
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functionality of the Open Babel toolkit:
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- The `openbabel`_ module: A wrapper that is automatically generated using
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the SWIG package and provides access to almost all of the Open Babel
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interfaces via Python, including the base classes OBMol, OBAtom, OBBond,
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and OBResidue, as well as the conversion framework OBConversion.
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- The `pybel`_ module: A lightweight wrapper around the classes and methods
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in the openbabel module. Pybel provides more convenient and Pythonic ways
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to access the Open Babel toolkit.
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For detailed installation instructions, API documentation and further information
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on the Python bindings, see the `Python pages on the Open Babel website`_.
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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`_.
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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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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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.. _`Open Babel website`: http://openbabel.org
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.. _`openbabel`: http://openbabel.org/docs/dev/UseTheLibrary/PythonDoc.html
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.. _`pybel`: http://openbabel.org/docs/dev/UseTheLibrary/Python_Pybel.html
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.. _`Python pages on the Open Babel website`: http://openbabel.org/wiki/Python
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.. _`pip`: http://www.pip-installer.org
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.. _`Open Babel project`: http://openbabel.org
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