Features of ChemSite Pro
3-D modeling tool with AMBER minimization
2-D publication quality drawing tool
Molecular dynamics simulation in the solvent of the user's choice
Impressive photo-realistic 3-D images (ball and stick, van der Waal's surfaces, molecular orbitals, protein ribbons etc.)
Electrostatic surfaces, rotatable in real time
Special builders for proteins, nucleic acids, polysaccharides
Supports MDL Molfiles and Brookhaven pdb file (read and write)
Interactive crystal editor with all 230 space groups
Synthetic polymer builder
Membrane and lipid builder
Works interactively with the Molecular Modeling Pro and ChemicaElectrica gateway programs.
Perform semi-empirical extended Huckel calculations.
Performs Ab Initio Calculations: includes the STO-3G and 3-21G bases sets.
Build crystals based on all of the 230 space groups.
Calculates and display molecular orbitals: total electron density and frontier orbitals (HOMO, LUMO)
Displays electron spin density.
Displays the electrostatic potential.
Calculates del Re, Huckel and Extended Huckel atomic charges.
Academic institutions get a one year, one classroom site license for free (Students in one class can permanently download the program to their own computer. This right to download the program expires one year after purchase.)