tigress02
pgchem::tigress

Roadmap

2007

  • Replace OpenBabel 2.0.x with 2.1.x. - complete.
  • Clean up the new code and streamline the user functions, i.e. remove all ‘_a’ suffixes that are now obsolete, because the external process calls to Checkmol/Matchmol have been fully replaced by Barsoi. - complete.
  • Use SSE for parallel fingerprint screening on x86 if available. - complete.
  • Update the documentation accordingly. - complete

2008

  • Develop a GiST index for molecules.
  • Get reaction support production ready.