HyperChem is an application developed for use in the field of chemistry. It is a molecular modeling program that enables users to visualize and animate elements and compounds, perform quantum chemical calculations, and see the dynamics and mechanics of molecules. It comes with a comprehensive set off computational chemistry tools, molecular drawing tools, rendering functions, and support for third-party applications or plugins.
This application is able to perform several types of calculations and simulations, including the following:
• Geometry optimization
• Molecular dynamics
• Vibrational frequency
• Langevin dynamics
• Metropolis Monte Carlo simulations
Users can begin building molecules by selecting an element from the periodic table. They can then click and drag the mouse to sketch the molecular structure. Users can rotate the figure around bonds and change the molecular structure as they wish. The model builder feature converts the rough sketches into three-dimensional diagrams. Users can specify the atom type, charge, atomic mass, and formal charge. Complex molecular assemblies may be built by moving individual atoms and molecular groups.
As for the molecular display, HyperChem is able to show the structures using fused CPK spheres, ball and cylinder, and ball and stick options. Users can specify the width of the cylinder for the display, as well as the radii of display spheres.