HyperChem unites 3D visualisation and animation with quantum chemical calculations, molecular mechanics and dynamics, putting more molecular modeling tools at your fingertips than any other Windows program.


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HyperChem Professional 8.0.10


HyperChem Professional 8.0.10

HyperChem incorporates even more powerful computational chemistry tools than ever before, as well as newly incorporated modules, additional basis sets, new drawing capabilities and more.

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.

Molecular Display

  • Display structures using ball and stick, fused CPK spheres, sticks, van der Waals dots, and sticks with vdW dots; switch easily between rendering styles.

  • Specify shading and highlighting, stick width, and the radii of spheres. Stereo and perspective viewing are also available.

  • Display a Ray Traced image of the molecules in the workspace.

  • Display bond labels showing the current bond length or the currently computed quantum mechanical bond order.

  • Display protein backbones using ribbons, with optional display of sidechains.

  • Highlight potential hydrogen bond interactions.

  • Display dipole moment vectors and gradient vectors.

Computational Chemistry

Use HyperChem to explore quantum or classical model potential energy surfaces with single point, geometry optimisation, or transition state search calculations. Include the effects of thermal motion with molecular dynamics, Langevin dynamics or Metropolis Monte Carlo simulations. Computational methods include: Ab Initio Quantum Mechanics, Semi-empirical Quantum Mechanics, Molecular Mechanics and Mixed Mode Calculations.

Additional Features

HyperChem has a range of additional features ideal for chemists, including:

  • Sequence Editor for manipulating strings of amino acids.

  • Crystal Builder to build up crystals by hand.

  • Sugar Builder to construct polysaccharides from individual saccharide components.

  • Conformational Search for finding and saving stable structures of molecules.

  • QSAR Properties for calculation and estimation of a variety of molecular descriptors commonly used in Quantitative Structure Activity Relationship studies.

  • Calculation of the values of Hyperfine Coupling constants, for characterising the ESR spectra of open shell systems.

  • Computation of polarisability tensors.

  • Plotting of the potential energy as a function of either a single structural feature (2D plot) or two structural features (3D plot).

  • Superimpose an applied electric field on any calculation. For example, a charged system will now drift in the workspace during a molecular dynamics run if an external electric field has been applied. 

What's new in HyperChem

  • Open GL Rendering

    The basic rendering modeling in HyperChem has been converted to a full new OpenGL model. This affects all the molecular rendering, giving a generally higher quality of graphics throughout the product.

  • Custom Color Support

    It is now possible to color molecules, backgrounds, etc. using any of 16 million available colors rather than the traditional 8 standard colors that HyperChem has used in the past.

  • Mixed Renderings

    The rendering of molecules supports different rendering for different parts of the same molecule. That is any atom can be rendered using any of the rendering molecules -- stick, balls, ball and stick, etc.

  • Tube Rendering of Atoms

    A new "tube" rendering is now available for atoms.

  • Manipulate Protein Structures

    Extensive additions have been made to HyperChem's ability to deal with protein structures. HyperChem now supports four secondary structure descriptions - helices, sheets, turns, and coils. The secondary structures can be individual selected, colored, and rendered using a new secondary structure rendering capability.

  • Support for Secondary Structure Information in Protein Data Bank files

    HyperChem recognises and supports secondary structure information in its molecule files. Information from protein database (PDB) files is captured for and retained in HIN files. The peptide builder supports this new capability and adds a secondary structure description to all residues.

  • Protein Secondary Structure Rendering

    Secondary structure rendering now includes ribbon lines, narrow ribbon sheets, thick ribbon sheets, encompassing helical cylinders and a coil rendering. These new renderings can be selected for any secondary structure or part of a secondary structure. They can be colored globally or colored differently for specific residues.

  • Enhanced Protein Builder Capability

    In addition to alpha helices and beta sheets, the peptide builder now supports beta turns, parallel and anti-parallel beta sheets, left-handed alpha helices, 310-helices, and pi-helices.

  • Large Molecule Electron Density Approximation

    A rapid new method is available for calculating and displaying the electron density and electrostatic potential of molecules. For example, the new method makes it practical to very quickly display the electron density of large proteins. 

HyperChem for Mac 4.0.5


HyperChem for Mac 4.0.5

Hypercube is pleased to announce the release of HyperChem for Mac.

The capabilities of HyperChem are coming to OSX and the beautiful and elegant Mac world. Built from scratch to take advantage of Apples new operating systems, HyperChem on the Mac is what Apple users have been waiting for.