MOPAC2009 with giant molecule capability released November 2008

MOPAC2009 is the successor to a MOPAC2007, a semiempirical quantum chemistry software package for the prediction of chemical properties and modeling of chemical reactions. It is used by chemists and biochemists for both research and teaching.

MOPAC2009 is a completely updated and rewritten version based on the public domain MOPAC® 6 with many bug fixes and several major enhancements added, including the new PM6 method.  MOPAC2009 now includes a linear scaling algorithm for geometry optimizations on systems of up to 15,000 atoms.
Technical Info

New, optimize giant molecules up to 15,000 atoms, e.g. proteins
New, PM6 parameterization using experimental and
ab initio
More accurate* heats of formation and geometries
All main group elements & transition metals parameterized
Serious errors from PM3 and AM1 corrected
Crystals, surfaces & polymers with periodic boundaries
FREE to academics

                                                             *compared to AM1, PM3 and some
ab initio methods

Supported Platforms

Windows®, Linux and Macintosh platforms

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