HyperChem Software
About
HyperChem is a sophisticated molecular modeling environment that is known for its quality, flexibility, and ease of use. Uniting 3D visualization and animation with quantum chemical calculations, molecular mechanics, and dynamics, HyperChem puts more molecular modeling tools at your fingertips than any other Windows program.
Structure Input and Manipulation
Building molecules with HyperChem is simple: just choose an element from the periodic table, and click and drag with the mouse to sketch a structure. Mouse control of rotation around bonds, stereochemistry, and “rubber banding” of bonds makes changing structures easy. Extensive selection, highlighting, and display capabilities make it easy to focus on areas of interest in complex molecules.
Features
Some of the features implemented in last version of HyperChem software are:
- Display structures using ball and stick, fused CPK spheres, sticks, ball and cylinder, or tubes.
- Add van der Waals dots to any rendering.
- Use any rendering on any atom in the same molecule.
- Specify stick or cylinder width, and the radii of spheres.
- Stereo and perspective viewing are available as well as a quality setting.
- Single point calculations determine the molecular energy and properties for a given fixed geometry.
- Geometry optimization calculations employ energy minimization algorithms to locate stable structures. Five minimization algorithms are provided.
- Vibrational frequency calculations find the normal vibrational modes of an optimized structure. The vibrational spectrum can be displayed and the vibrational motions associated with specific transitions can be animated.
- Transition state searching locates the metastable structures corresponding to transition states using either Eigenvector Following or Synchronous Transit methods. Molecular properties are then calculated.
- Langevin dynamics simulations add frictional and stochastic forces to conventional molecular dynamics to model solvent collisional effects without inclusion of explicit solvent molecules.
Download
HyperChem Software is distributed as a non-free software. The current version for Windows, Linux and MacOSX operating systems can be downloaded from this link.
Citation
The preferred way to cite Molekel software is :
- HyperChem(TM) Professional 7.51, Hypercube, Inc., 1115 NW 4th Street, Gainesville, Florida 32601, USA.