====== Open Babel ======


http://openbabel.sourceforge.net/

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...
    * 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...)