Features of HyperChem Lite

MODEL BUILDING AND VISUALIZATION

·      Building molecules with HyperChem Lite is simple: you choose an element from a periodic table, and click and drag with the mouse to sketch a structure.

·      HyperChem Lite's model builder turns rough sketches straight into 3D structures. It can even handle highly coordinated metal complexes.

·       Rendering choices include sticks, balls and cylinders, and CPK spheres, with and without shading. Stereo viewing is available, and the orbitals and electron densities can be displayed as wire-mesh or shaded solid surfaces, or as contour plots.

·        Extensive selection and highlighting capabilities make it easy to focus on areas of interest in complex molecules.

·        Mouse control of stereochemistry, rotation around bonds, and "rubber banding" of bonds makes manipulation of structures easy.

COMPUTATIONAL METHODS

 HyperChem Lite integrates molecular mechanics and semi-empirical quantum mechanics (molecular orbital) calculations into a single package.

• Use the Extended Huckel method to calculate electronic properties and orbitals.
• Use the MM force field for general purpose molecular modeling, including geometry optimization to find stable structures.
• Build in structural restraints to your optimizations.
• Use molecular dynamics playback facilities to analyze chemical reactions and the trajectories of colliding molecules.
• Display orbital energy levels, and the orbitals themselves, as 2D contour plots or as 3D "solid" objects.

LINK TO OTHER WINDOWS PROGRAMS FOR IMAGE TRANSFER

 HyperChem Lite supports the Windows clipboard, enabling it to work closely with other Windows programs. Copy images straight into word processors or graphic programs for your presentations.