Wavefunction Announces MacSpartan Pro

May 17, 2000 Wavefunction has introduced MacSpartan Pro, the latest to their popular molecular modeling products. Combined with the power of today's G4 Macintosh systems, MacSpartan Pro offers access to the same computational methods and graphics tools once available only from expensive UNIX based workstations.

The versatile and easy to use MacSpartan Pro allows any chemist to:
Construct complex organic, organometallic and inorganic molecules. Obtain transition states from an extensive reaction database. Interactive dialogs oversee all aspects of the calculation. MacSpartan Pro also includes a convenient and versatile spreadsheet analysis tool allowing for the organization and analysis of output for molecules and molecular groups.MacSpartan Pro Software Package

Display multiple model styles, calculated properties, volumes and surface areas, dipole moments, and atomic charges. Present dramatic 3D isosurface and 2D slice displays of electron densities, spin densities, electrostatic and polarization potentials, and molecular orbitals. Color coded property displays let you map properties onto an isosurface.

Perform calculations with a wide range of computational methods including molecular mechanics (SYBYL, MMFF), semi-empirical (AM1, PM3 including parameters for transition metals, MNDO, MNDO/d, AM1-SM5.4), ab initio Hartree-Fock, MP2), and density functional (SVWN, BP86 and pBP86).

Perform tasks including coordinate driving to simulate chemical reactions, conformation searching, calculation of heats of formation or strain energies, determination of equilibrium and transition-state geometries, and evaluation of normal-mode vibrational frequencies.

General Information:
Wavefunction produces molecular modeling software and publications for both industry and academia. Their applications are used by chemists in research and education at thousands of sites around the world. Wavefunction was founded in 1991 by Dr. Hehre to promote the development and utilization of computational chemistry and molecular modeling in the mainstream chemistry community.

For pricing and additional information, contact:
Wavefunction, Inc.
(949) 955-2120