
Sculpt, rebuilt
In 1992, for my Ph.D. at UNC–Chapel Hill, I built Sculpt: a chemist grabs atoms on screen and the protein relaxes around the change in real time, under a full molecular-mechanics force field. Sculpt made the cover of Science and became Interactive Simulations, the company I founded and sold to Reed Elsevier.
In May 2026 I rebuilt it from the two original papers with AI coding agents, in about a week. Few people can check thirty-year-old scientific software line by line. Its author can, which made it the ideal benchmark.
- Inside
- CHARMM19 force field, sparse constraint projection, Richardson ribbons, hydrogen bonds, contact dots, real-time GPU rendering.
- Source
- Surles, Richardson, Richardson & Brooks, Protein Science 3(2), 1994.

