Molecular Modeling 2003 Readers’ Choice Finalist: Chem3D

Chem3D brings workstation quality molecular visualization and display to the desktop. Users can convert ChemDraw and ISIS/Draw sketches into 3-D models; view molecular surfaces, orbitals, electrostatic potentials, charge densities and spin densities; use built-in extended Hückel to compute partial atomic charges; and use MM2 to perform rapid energy minimizations and molecular dynamics simulations. ChemProp estimates physical properties such as logP, boiling point, and melting point.