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 10 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
  ChemSite 3D Molecular Visualization Software
Download and use now

 
Datasheet 193KB pdf
OS Win 3.1 x and higher
Support 30 Day free
Prices click here
Demo Download

3D molecular modeling without the steep learning curve

Draw in 2D

Let chemsite build the molecular in 3D

 

Choice of Display modes

 

Export 3D molecular graphics for visualization and publication.

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 -- whether protein, DNA, organic or inorganic -- as fully-realized, space-filling entities. You can even create and playback movies of molecular dynamics simulations.

You can easily build all types of organic molecules, from small molecules, to proteins and DNAs.

 

 

Create stunning presentations with photo-realistic rendering tools such as Bezier curves, Ray-tracing, Phong shading and texture-mapped atom symbols... and a single mouse-click exports ChemSite images to any other Windows application.

Powerful analysis features include tools and techniques formerly found only on workstation-level modelers. Full support for stereo chemistry, for instance, with dashes and wedges around chiral centers and auto-determination of R and S stereo centers is a part of the ChemSite package. Plus measurement tools ranging from inter-atomic distance to molecular weight and energy calculation, and more.

Calculate and display electrostatic potential surfaces

 

Calculate atomic charges

 

Calculate molecular volumes

Modeling Features: Molecular models may be constructed in a variety of ways. A sketching tool is provided with automatic 2D to 3D conversion for easy building of inorganic and organic molecules. Organic molecules may be built from common organic functional groups and fragments. Peptides and proteins may be built with both D and L amino acids. Single and double stranded DNA/RNA polynucleotides may be constructed with ease.

Visualization Features: Models may be viewed as stick figures, balls and sticks, CPK or with polymers as ribbons or extrusions. With stick figures, molecular models may be rotated in real time with the mouse. The program features ray tracing and texture mapping for the utmost in molecular graphics realism. Rendering styles may be mixed as desired. With high resolution displays, photo realistic display of molecular models are easily created. Images may be printed, saved as .BMP or TARGA files, or exported through the clipboard to word processors and desktop publishing programs. ChemSite brings state of the art workstation quality graphics capabilities to the pc.

Molecular Mechanics: Features ChemSite performs energy minimization and molecular dynamics simulation. Available force fields include Amber, mm2 and the ChemSite's default cm+ force field for accurate calculations with almost any molecule. The program performs real time animation of energy minimization and molecular dynamics simulation with small to medium size molecules. With large molecules such as proteins, movies of molecular dynamics simulations may be recorded to disk and played back for real time animation.

Supported File Formats: ChemSite reads and writes the following file formats: ChemSite library (.lib) ChemSite system (.syc) Brookhaven Protein databank (.ent and .pdb) MDL mol file (.mol) Mopac Z-matrix (.zmt, .mop) Connectivity table (.ct) Cartesion A (.cta) Your ChemSite package includes: Single user license and software package Comprehensive illustrated instruction manual Extensive library of organic & biological molecules