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science : openbabel
Chemistry file translation program
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 * Recognition of file type based on filename extension * SMARTS matcher * Flexible atom typer * Gasteiger partial charge calculation * Hydrogen addition and deletion * Automatic feature perception (rings, hybridization, aromaticity) * Multiple conformer storage within molecules * Command line interface development class * Bitvector class * Open-source/Free Software under the GNU General Public License * Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...)
Version number : 2.1.1
Md5 : MD5 (openbabel-2.1.1.tar.gz) = a2a002c6913d6fb94fdc7dede2166194 SHA256 (openbabel-2.1.1.tar.gz) = 2e36ac296d60ca2b296743e766b8180d11c18eaa46c09808abeb28934e64fbe5 SIZE (openbabel-2.1.1.tar.gz) = 6149509
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