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path: root/libs/openbabel/DETAILS
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           SPELL=openbabel
if [[ $DEV_VER = y ]];then
         VERSION=2.3.2
     SOURCE_HASH=sha512:d0e1f8b758ffdd65ec6c31d988bffe3279355e286ce69fad12c5905b3b832e2b73ee95b1061b1576aba1ee9fe4da5e31ec30350c473be17493c657dc80caf919
          SOURCE=$SPELL-$VERSION.tar.gz
else
         VERSION=2.3.2
     SOURCE_HASH=sha512:d0e1f8b758ffdd65ec6c31d988bffe3279355e286ce69fad12c5905b3b832e2b73ee95b1061b1576aba1ee9fe4da5e31ec30350c473be17493c657dc80caf919
          SOURCE=$SPELL-$VERSION.tar.gz
fi
   SOURCE_URL[0]=${SOURCEFORGE_URL}/${SPELL}/${SOURCE}
SOURCE_DIRECTORY=$BUILD_DIRECTORY/$SPELL-$VERSION
#      SOURCE_GPG="gurus.gpg:${SOURCE}.sig"
        WEB_SITE=http://openbabel.sourceforge.net/wiki/Main_Page
         ENTERED=20031114
      LICENSE[0]=GPL
        KEYWORDS="science libs"
           SHORT="Cross-platform library for converting some scientific formats"
cat << EOF
Open Babel is a project designed to pick up where Babel left off, as a
cross-platform program and library designed to interconvert between many
file formats used in molecular modeling and computational chemistry.

Features currently include:

    * A huge variety of common chemical file formats, including SDF/MOL,
    Mol2, PDB, SMILES, XYZ, CML... (details)
    * Recognition of file type based on filename extension
    * Chemical MIME support
    * SMARTS matcher
    * Flexible atom typer
    * Flexible bond typer for perception of multiple bonds from atomic
    coordinates
    * Gasteiger partial charge calculation
    * Hydrogen addition and deletion
    * Isotope support, calculation of average and exact masses
    * Automatic feature perception (rings, bonds, hybridization, aromaticity)
    * Multiple conformer storage within molecules
    * Command line conversion for multiple molecules in one file
    * Command line interface
    * Bitvector class
    * Vector and matrix transformations
    * Molecular test suite
    * Open-source/Free Software under the GNU General Public License
    * Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...)
EOF