ChemSite is a three-dimensional (3-D) 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 imported 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 3-D 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. And ChemSite now allows new implicit solvent models for molecular dynamics.
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, including conformational patterns and behavior, can be saved for playback at a later time.
ChemSite is an inexpensive and easy-to-use alternative for generating 3-D 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 from 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.
Software Link: ChemSite - Molecular Modeling Software
