BOSS

The BOSS (Biochemical and Organic Simulation System) program is a general purpose molecular modeling system that performs molecular mechanics (MM) calculations, Metropolis Monte Carlo (MC) statistical mechanics simulations, and semiempirical AM1, PM3, and PDDG/PM3 quantum mechanics (QM) calculations. The MM calculations cover energy minimizations, normal mode analysis, and conformational searching with the OPLS force fields.

References

1. William L. Jorgensen, Julian Tirado-Rives "Molecular modeling of organic and biomolecular systems using BOSS and MCPRO", Journal of Computational Chemistry 26 pp. 1689-1700 (2005)

External links

• BOSS User Manual (PDF, 2 MB)