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https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/branches/openbabel-2-2-x ........ r3063 | baoilleach | 2009-06-16 19:40:47 +0200 (Tue, 16 Jun 2009) | 3 lines The first of a series of commits where I try to get the CSharp bindings into shape. Moving Windows-specific files away from scripts/csharp into windows-vc2005/OBCSharp ........ r3064 | baoilleach | 2009-06-16 20:05:21 +0200 (Tue, 16 Jun 2009) | 1 line Create openbabel-mono.i, a mono-specific version of openbabel-csharp.i, primarily for use on Linux/MacOSX. It is currently an exact checkout of svn r2805 of openbabel-csharp.i. ........ r3065 | baoilleach | 2009-06-16 20:17:22 +0200 (Tue, 16 Jun 2009) | 1 line Update windows release build to use libstdinchi.lib ........ r3066 | baoilleach | 2009-06-16 21:24:16 +0200 (Tue, 16 Jun 2009) | 1 line Updates to Windows CSharp build files ........ r3067 | baoilleach | 2009-06-16 22:17:06 +0200 (Tue, 16 Jun 2009) | 7 lines Changelog for previous commits 2009-06-16 Noel O'Boyle <baoilleach@gmail.com> * windows-vc2005/OBCSharp and CSharp files in scripts: Separate .NET and Mono SWIG files. Move .NET files to windows-vc2005. Update relevant files. ........ r3068 | mr_grieves | 2009-06-17 22:18:51 +0200 (Wed, 17 Jun 2009) | 2 lines Skip selective dynamics line if present -- Thanks for janneb in #avogadro for pointing this out. Also include 'K' and 'k' in coordinate type selection. ........ r3070 | baoilleach | 2009-06-18 11:06:34 +0200 (Thu, 18 Jun 2009) | 1 line Minor updates to scripting READMEs ........
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2.1 KiB
Plaintext
56 lines
2.1 KiB
Plaintext
OpenBabel Python bindings version 1.5
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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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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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For more details, tutorials, example code, etc., please visit the Open Babel
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website:
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<http://openbabel.sourceforge.net/wiki/Python>
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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-2.4 or a more recent version.
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openbabel-2.2.2 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) 2005-2007 Geoffrey R. Hutchison <babel@geoffhutchison.net>
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Some portions Copyright (C) 2006-2009 Noel O'Boyle
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This Python module is part of the Open Babel project.
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<http://openbabel.sourceforge.net/>
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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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