BOSS: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) (New page: '''BOSS''' ==References== #[http://dx.doi.org/10.1002/jcc.20297 William L. Jorgensen, Julian Tirado-Rives "Molecular modeling of organic and biomolecular systems using BOSS and MCPRO", Jo...) |
Carl McBride (talk | contribs) No edit summary |
||
| Line 1: | Line 1: | ||
The [http://zarbi.chem.yale.edu/software.html 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== | ==References== | ||
#[http://dx.doi.org/10.1002/jcc.20297 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)] | #[http://dx.doi.org/10.1002/jcc.20297 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)] | ||
[[Category: Materials modeling and Computer simulation codes]] | [[Category: Materials modeling and Computer simulation codes]] | ||
Revision as of 14:44, 26 April 2007
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.