Molecular modelling,drawing, molecular mechanics, Semi-empirical calculations, structure display
 
Modules
Databases
Contact

Databases
All included as standard

  1. HSC Thermochemical Database
  2. Water Steam/Fluid Database
  3. Heat Conduction Database
  4. Heat Convection Database
  5. Surface Radiation Database
  6. Gas Radiation Calculator
  7. Particle Radiation Calculator
  8. Elements Database
  9. Measure Units Database
  10. Minerals Database
  11. Aqueous Solution Density Database
  12. The Pitzer parameter Database
US Flag
(866) 571-1976

UK Flag
01737 822144

Worldwide
sales and support
 

Version 8 Modules
All modules included as standard

  1. Sim - Process simulation
  2. LCA Evaluation
  3. Mass Balance
  4. Reaction Equations
  5. Heat and Material Balances
  6. Heat Loss Calculator
  7. Equilibrium Calculations
  8. Exergy Balance
  9. Eh-pH Diagrams - Pourbaix
  10. H, S, Cp and Ellingham Diagrams
  11. Tpp Diagram-Stability diagrams
  12. Lpp Diagrams-Stability diagrams
  13. Water - Steam tables, etc.
  14. H, S, Cp Estimates
  15. Benson Estimation
  16. Species Converter
  17. Periodic Chart-Elements
  18. Measure Units
  19. HSC AddIn Functions
  20. Aqua
  21. Geo-Mineralogical calculations
  22. Map-GPS material stock
  23. Fit-Numerical Data fit
  24. Data-Statistical analysis

Databases
All included as standard

  1. HSC Thermochemical Database
  2. Water Steam/Fluid Database
  3. Heat Conduction Database
  4. Heat Convection Database
  5. Surface Radiation Database
  6. Gas Radiation Calculator
  7. Particle Radiation Calculator
  8. Elements Database
  9. Measure Units Database
  10. Minerals Database
  11. Aqueous Solution Density Database
  12. The Pitzer parameter Database
US Flag
(866) 571-1976

UK Flag
01737 822144

Worldwide
sales and support
 

Molecular Modeling Pro

Product discontinued


 
Datasheet 108 KB pdf
OS Win 98, ME, 2000, XP, Server 2003
Support 30 Days free
Prices click here
Demo Download

This advanced molecular modeling program is the result of over 20 years of development at a major chemical company. Developed first for main-frame computers, it now is available for Windows. Molecular Modeling Pro has most of the advanced features available in expensive PC-based molecular modeling programs and more! Molecules are easily constructed with your mouse and pull-down menus. The program can display molecules as wire frame, ball and stick, spheres and dot surface models. Up to 2,500 atoms and 10 molecules can be displayed on the screen at a time and minimized using the MOLY minimizer. Over 70 physical properties can be calculated instantaneously including molecular weight, volume, length, width, surface area, density, dipole moment, Hansens 3-D solubility parameters, HLB, boiling point, vapor pressure, Log P and connectivity indices. With Molecular Modeling Pro you can perform stoichiometry on reactions, balance equations, and draw reaction mixtures with arrows and conditions. The graphics in Molecular Modeling Pro are impressive! Molecules can be rotated at any angle via the X, Y, or Z axes. You can view the structure in perspective, change colors, view in 2D or 3D, and create animated computer presentations. Databases of structures and calculated physical properties can be created for analysis by Molecular Analysis Pro. Databases can be generated automatically from substructures or from all structure files in a directory. The source code is included for viewing molecule files. Molecular Modeling Pro is easy to use and includes an electronic tutorial and complete on-line help.

The Molecular Modeling Pro program is:

  • a 3-D chemical structure drawing program
  • a physical property estimation program (check out this page for the details)
  • a chemical data base creation program (used with the companion Molecular Analysis Pro program)
  • a molecular graphics modeling tool
  • a reaction/mixture editor
  • a computer slide show maker
  • a batch structure printing program
  • an unsophisticated structural/reaction searching program
  • a program capable of converting connection table formats between MOLfiles and MACROMODEL files

13052.gif (21950 bytes)