Wavefunction Announces SpartanModel
may be visualized in a variety of model styles from tube and ball-and-spoke
models (displaying bond types), to space-filling models (revealing size
and shape), to ribbon displays for polypeptides and polynucleotides (displaying
additional information about larger molecules’ secondary structure).
determines and displays hydrogen bonds. Models may be labeled to show element
types, mass numbers, charges, and R/S chirality. Structural information
is also available, including bond lengths and angles, torsion angles ('conformations'),
volume and surface area. SpartanModel
also includes a large database of organic and inorganic molecules. High
quality quantum mechanical calculations have been performed on database
entries providing accurate molecular structure, properties, infrared spectra,
and on-the-fly generation of graphical displays of electrostatic potential
With significant commitment to the development of computer-based tools for teaching and learning chemistry, Wavefunction might be assumed to support replacing experimental labs with computer labs. However, when discussing this new release, Wavefunction's CEO, Dr. Warren Hehre, said, "Molecular modeling is a technology which blurs the artificial boundaries between lecture and homework, between homework and the laboratory, and most importantly, between the laboratory and chemical research. Computers cannot make new compounds, nor can they characterize their structures. While synthesis and analysis remain the cornerstones of chemistry, computer models can assist with both. It is important to train future chemists in both experimentation and modeling."
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.