May 26, 2018

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…

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