|
ChemicaElectrica Gateway (v 3)
- Internet connectivity. Flexible menus to connect your web sites to the program.
- 3-D drawing and geometry optimization
- 10,000 + molecule database, with over 100 Megabytes of data.
- Some database editing capability
- Some physical property calculations including MOPAC 6.0
- Beautiful 3-D graphics.
- $129 (program included with MMP+ for free)
- $129
- All programs run on Windows XP through Windows 8.1
- Academic institutions get one free classroom site license with every purchase.
- For details click here...
|
|
Molecular Modeling Pro Plus (v 7)
- 3-D drawing and geometry optimization with beautiful graphics.
- Database creation and editing included automated QSAR substitutent databases and creation of databases from sudirectories of molfiles.
- Calculations of hundreds of molecular properties from structure.
- QSAR statistical procedures included automated stepwise and brute force regression. Includes data transformations in the analyses (e.g. logistic, exponential etc.)
- Compound similarity matching.
- Includes MOPAC 6.0, CNDO, MM2
- Includes ChemicaElectra Gateway program and database.
- All programs run on Windows XP through Windows 8.1
- $199
- Academic institutions get one free classroom site license with every purchase.
- For details click here...
|
|
Chemsite Pro (version 10)
- 3-D modeling tool with AMBER minimization
- 2-D publication quality drawing tool
- Molecular dynamics simulation
- Impressive photo-realistic 3-D images
- Electrostatic surfaces, rotatable in real time
- Special builders for proteins, nucleic acids, polysaccharides, lipids, membranes and synthetic polymers
- Interactive crystal editor with all 230 space groups
- Performs Ab Initio and DFT calculations: includes all the most popular basis sets from STO-3G to 6-311G*
- Calculates and display molecular orbitals: total electron density and frontier orbitals (HOMO, LUMO
- Displays electron spin density and electrostatic potential
- Calculates del Re, Huckel, Extended Huckel, Ab Initio and DFT atomic charges
- $199
- Academic institutions get one free classroom site license with every purchase
- For details click here...
|
|
|
