Computer-Aided Chemistry Modeling
Set
Build ANY Structure Quickly!
ChemSite Pro is an interactive 3D molecular graphics environment that
empowers the chemist to build, study, and present molecules in an
impressive visual environment. The intuitive Windows interface makes
ChemSite Pro easy to learn and use. Interactive 3D modeling and real time
animation lets you use molecular building blocks or atom by atom
construction to visualize even the most complex structures. Easily build
protein, DNA, organic, and inorganic molecules as fully realized,
space-filling entities. Easily build molecules by sketching them as you
would on paper and then automatically convert the sketch to an accurate 3D
model. You can even create and playback molecular dynamics.
Photo-realistic rendering tools such as Bezier curves, Ray tracing, Phong
shading and texture-mapped atom symbols help create stunning
presentations. ChemSite Pro images could then be exported to other Windows
applications with a single mouse click-Works interactively with CISPro,
MMP and NIST Mass Spec Search programs. Powerful analysis features include
tools and techniques formerly found only on workstation level modeling
programs. Full support for stereo chemistry, for example, with dashes and
wedges around chiral centers and auto-determination of R and S stereo
centers is included. Files can be freely imported and exported in all the
most popular formats including Brookhaven, ChemDraw connectivity table,
and Mopac Z-matrix. An extensive library of organic molecules suitable for
college organic chemistry courses is included for use with lessons from
organic chemistry textbooks such as McMurray. Can be used as a great
teaching tool! The latest version displays molecular surfaces calculated
with semi-empirical quantum mechanics and provides improved graphic
performance. Easily draw any 2D structure for publication quality graphics
and automatically convert to 3D modeling. Includes all of the features of
ChemSite Std.
- Lipid Builders
- Lipid Bilayer Builder
- Synthetic Polymer Builder
- Build lipid bilayers and perform MD simulation in water under 2D periodic boundary conditions
- Works interactively with CISPro, MMP+ and NIST Mass Spec Search 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

Methane: Electrostatic potential surface of methane. Regions of negative charge are shown in gray.

| P/N A10202 |
ChemSite Pro Single User |
$ 499.00 |
|
| P/N A10202 |
ChemSite Pro Single User
Educational |
$ 199.00 |
|
| P/N A10202 |
ChemSite Pro Five Station
License |
$ 1,199.00 |
|
| P/N A10202 |
ChemSite Pro Five Station
License Educational |
$ 799.00 |
|
| P/N A10202 |
ChemSite Pro Fifteen
Station License |
$ 2,399.00 |
|
| P/N A10202 |
ChemSite Pro Fifteen
Station License Educational |
$ 1,599.00 |
|
Return to Molecular
Modeling
Return to NIST Description
Return to MS, GC and Biochemistry
|