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Computer-Aided Chemistry Modeling Set Unsurpassed Graphics for the Crystallographer! Build any crystal molecule!

Features

ChemSite is a PC-based three-dimensional molecular modeling program for drawing, displaying, and simulating the dynamic behavior of organic and biological molecules. The program offers an interactive molecule-building facility for the creation of almost any molecule. Biological macromolecules can be built by hand or read in from Brookhaven Protein Data Bank files. ChemSite also reads and writes data files from other molecular modeling and chemical drawing programs, including Molecular Design Limited (MDL) .mol files, Mopac Z-matrix files, and cartesian A files.

Molecules can be rotated in 3D in real time, and a variety of sophisticated rendering techniques are available for visualizing molecules as space-filling entities. Photorealistic graphics can be generated with ChemSite on PCs equipped with a Super VGA graphics adapter.

Since molecules are not static and can adopt a multitude of conformations, or shapes, visualization of conformational flexibility is vital to understanding molecular structure and function. The flexible nature of molecules can be studied with ChemSite’s molecular dynamics facility. Energy minimization, constant-temperature, and constant-energy molecular dynamics simulations can be conducted with any molecule or system of molecules, and dynamics trajectories-conformational patterns and behavior-can be saved to disk for playback at a later time

Benefits

ChemSite is an inexpensive and easy-to-use alternative for generating 3D representations of molecular structures and performing basic molecular modeling. Students new to the world of chemistry will benefit from the visual environment for studying the nature of molecules and form ChemSite’s built-in rules of chemistry. Educators can use ChemSite to illustrate concepts in lecture presentations and course materials. Researchers in academia and industry will find ChemSite useful for advanced studies of structures and easy development of detailed models for papers and presentations.

ChemSite Pro includes all of the features of ChemSite Standard plus adds a fully interactive crystal builder. Ionic, metallic, covalent and molecular crystals may be constructed using a database of all 230 space groups, with choice of cell type and unique axis where appropriate. A must for any crystallographer!

Works interactively with Molecular Modeling Pro.