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ChemSite Pro

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 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.
  • Current version:
  • Great Price - $199
  • 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.)

Molecular Modeling Pro Plus has extensive connections to both versions of ChemSite.

Order ChemSite Pro

Special combination prices when ordered with Molecular Modeling Pro

For more information, e-mail us or phone us: 215-378-6274 (USA)

Above: total electron density isosurface of a crown ether calculated ab initio with the STO-3G basis set. Below: regions of negative electrostatic potential within the cation binding site of the same crown ether.