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55 lines
2.0 KiB
Plaintext
55 lines
2.0 KiB
Plaintext
openbabel version 1.0
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================================
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This is a Python "wrapper" to the Open Babel chemistry library.
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OpenBabel is a project designed to pick up where Babel left off, as a
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cross-platform program and library designed to interconvert between
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many file formats used in molecular modeling and computational chemistry.
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The wrapper is generated using the SWIG package and provides access to
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almost all of the Open Babel interfaces via Python, including the base
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classes OBMol, OBAtom, OBBond, and OBResidue, as well as the
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conversion framework OBConversion.
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The version numbering does not correspond to any particular release of
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Open Babel. For more information on the releases of openbabel.py, see
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the NEWS file.
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Future development will include a "glue module" to integrate with
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other Python chemistry projects.
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INSTALLATION
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To install this module, type the following (assuming you have already
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installed Open Babel):
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python setup.py build
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python setup.py install
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(Well, in theory that should work. Suggestions and complaints welcome.)
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DEPENDENCIES
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python-2.3 or a more recent version. (May work with 2.2 -- untested)
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openbabel-2.0 or a more recent version.
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Note that if you are trying to build/run this Python code in the Open
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Babel source/build directory BEFORE you install Open Babel, you may
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encounter problems if the Python module is linked against an older
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libopenbabel. If you encounter problems compiling, linking, or running
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this module, make sure you have run "make install" for the latest
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Open Babel package and THEN rebuild this Python module.
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COPYRIGHT AND LICENSE
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Copyright (C) 2005 Geoffrey R. Hutchison <babel@geoffhutchison.net>
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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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