These computational chemistry packages for molecular modeling are available through site licenses for Purdue University's West Lafayette campus:
 | Gaussian '98: An ab initio quantum mechanical package for Unix Platforms |
| Gaussian '98W: A Windows-based package for Gaussian '98. |
| GaussViewW: A Windows-based package for visualization of Gaussian '98 output. |
| MacroModel: A semi-empirical computational package with a visual front-end for model preparation and visualization of final computations. |
Contact Phil Wyss at the Jonathan Amy Facility for Chemical Instrumentation for distribution & licensing issues.