Metadata-Version: 1.1
Name: openbabel
Version: 1.8.1
Summary: Python interface to the Open Babel chemistry library
Home-page: http://openbabel.org/
Author: Noel O'Boyle
Author-email: openbabel-discuss@lists.sourceforge.net
License: GPL
Description: Open Babel Python Bindings
        ==========================
        
        This is a Python interface to the Open Babel chemistry library. For the 
        main Open Babel project, see http://openbabel.org.
        
        Open Babel is a chemical toolbox designed to speak the many languages
        of chemical data. It's an open, collaborative project allowing anyone
        to search, convert, analyze, or store data from molecular modeling,
        chemistry, solid-state materials, biochemistry, or related areas. For 
        installation instructions, tutorials and examples, please visit the
        `Open Babel website`_.
        
        This package provides two Python modules that can be used to access the
        functionality of the Open Babel toolkit:
        
        -  The `openbabel`_ module: A wrapper that is automatically 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 `pybel`_ module: A lightweight wrapper around the classes and methods 
           in the openbabel module. Pybel provides more convenient and Pythonic ways
           to access the Open Babel toolkit.
           
        For detailed installation instructions, API documentation and further information 
        on the Python bindings, see the `Python pages on the Open Babel website`_.
        
        Dependencies
        ------------
        
        -  Python 2.4 or a more recent version.
        -  Open Babel 2.3.0 or a more recent version.
        
        Installation
        ------------
        
        **Option 1**: Use `pip`_.
        
        ::
        
            pip install openbabel
        
        **Option 2**: Download the latest release and install yourself.
        
        ::
        
            tar -xzvf openbabel-1.8.1.tar.gz
            cd openbabel-1.8.1
            python setup.py install
            
        **Option 3**: While building Open Babel itself.
        
        ::
        
            cd openbabel
            mkdir ob-build
            cd ob-build
            cmake -DRUN_SWIG=ON -DPYTHON_BINDINGS=ON ..
            make install
        
        Copyright and Licence
        ---------------------
        
        -  Copyright (C) 2005-2007 Geoffrey R. Hutchison babel@geoffhutchison.net
        -  Some portions Copyright (C) 2006-2010 Noel O'Boyle
        
        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.
        
        .. _`Open Babel website`: http://openbabel.org
        .. _`openbabel`: http://openbabel.org/docs/dev/UseTheLibrary/PythonDoc.html
        .. _`pybel`: http://openbabel.org/docs/dev/UseTheLibrary/Python_Pybel.html
        .. _`Python pages on the Open Babel website`: http://openbabel.org/wiki/Python
        .. _`pip`: http://www.pip-installer.org
        .. _`Open Babel project`: http://openbabel.org
        
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Environment :: Other Environment
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License (GPL)
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: OS Independent
Classifier: Operating System :: POSIX
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: Unix
Classifier: Programming Language :: C++
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries
