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HyperChem

HyperChem

Computational methods include molecular mechanics, molecular dynamics, and semi-empirical and ab-initio molecular orbital methods, as well as density functional theory. HyperChem Data and HyperNMR are included as part of HyperChem. New features are continually added and include elegant Open GL rendering, TNDO, RM1,  Charmm protein simulations, molecules in magnetic fields, interfaces to third-party applications, calculations of structure, spectra, rate constants and much more.  HyperChem is applicable to macromolecules as well as small molecules and is scriptable. 
 
Support site:
http://www.hyper.com/
Faculty/Researchers
Staff
Students
Restricted License