Thanks to the financial commitment of many groups and units on campus, the research community in the School of Chemical Sciences, School of Life Sciences and Department of Chemistry have 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
Usage-based financial support of the Program:
- Participating groups' financial contribution is based on their software usage expressed in number of licenses checked out per year and/or software loaded locally. Currently, there are three level of contributions:
Bronze level ($750/year) for 50 to 499 check-outs/year
Silver level ($1,500/year)for 500 to 3000 check-outs/year
Gold level ($3,000/year) for over 3000 check-outs/year
- 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.
- For those groups who wish to only use Spartan, the contribution starts at $375/yr (Bronze level $375/yr, Silver level $750/yr)
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 firstname.lastname@example.org.