The SCULPT system enables a chemist to change molecular conformations in near real time while the bond geometry of the structure is constrained to canonical values and the free-energy is minimized. Dr. Mark Surles, who developed this system as a research assistant on the GRIP project, continued its development as a post doctoral researcher at the San Diego Supercomputer Center, and has now formed a company, Interactive Simulations, Inc., for marketing the system as a commercial product. We have granted him a non-exclusive license to the code developed while a student here freeing him to do this. We are also serving as a beta test site for his product system. More recently, Drs. Surles and Amitabh Varshney, also a graduate of our department and former research assistant on the GRIP project, have proposed adding Dr. Varshney's algorithms for calculating the solvent accessible surface of a molecule to the SCULPT system. We are negotiating with them to grant them the appropriate license to do this.
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