The School of Chemical Sciences and the Department of Chemistry each contribute significantly to the Scientific Software Program, allowing the research community in the School of Chemical Sciences and elsewhere on campus to have affordable access to cutting-edge commercial applications from leading companies in scientific computing, computational chemistry, computational biology and molecular modeling.
In particular, "post-genomic" modeling capacities are available, e.g., prediction and elucidation of protein structure and function, discovery and design of ligands, creation and screening of virtual (combinatorial) libraries of potential ligands.
The Scientific Software Program at a glance:
New packages greatly extend the range of applications:
Several new or updated software packages are now available for academic research and teaching:
- Chemical Computing Group's MOE for life sciences and computational chemistry
- Spartan for quantum chemistry
- The Schrödinger Suite
Cost of the Program:
- The cost of participating in the SCS Scientific Software Program is being reworked - additional information will appear here soon.
New groups can join the program at any time. A pro-rated fee will be charged for the remaining of the year, after which a re-evaluation of the contribution will be based on usage as descibed above. The fee also includes priority access to workshops on the software organized by CANS and the contracting software companies.
Most of the software packages can be run on the Computer Center's machines and can be accessed from within the VizLab, or installed on groups' workstations for participating labs.
If you have any question about the scientific Software Program, or have questions about technical aspects of the packages, such as installation on your group's computers and license check-out, please contact us at email@example.com.