Hypercube, Inc. - Product Page

Our Current Products

HyperChem Release 7.5	Windows 98, NT, ME, 2000 and Windows XP
HyperChem Release 7.5 is the newest member of the HyperChem Family. Computational methods include molecular mechanics, molecular dynamics, and semi-empirical and ab-initio molecular orbital methods. HyperChem Data and HyperNMR have been migrated into HyperChem Release 7.5, and new features have been added. The new features include Open GL Rendering, DFT, TNDO, Charmm Protein Simulations, Molecules in Magnetic Fields, and much more.

HyperChem Lite 2.0	Windows 98, NT, ME, 2000 and Windows XP
HyperChem Lite provides the same graphical user interface and most of the visualization capabilities of HyperChem, at a fraction of the cost. HyperChem Lite includes new Open GL atom and 3D orbital rendering, molecular mechanics for structure optimization and Extended Huckel for molecular orbital calculations.

Pocket HyperChem	Windows CE, Windows Mobile
Pocket HyperChem provides the same graphical user interface and most of the visualization capabilities of HyperChem, with all of the advantages inherent in Moble Computing devices that use Windows CE. Pocket HyperChem includes ball and stick rendering, 3D orbital rendering, molecular mechanics for structure optimization and Extended Huckel for molecular orbital calculations. Now available for StrongARM processors on Pocket devices only (not Handhelds).

Also Available
HyperChem Release 4.5 (SGI)	Silicon Graphics (SGI)
We have discontinued sales of this product, however, free permanently-licensed evaluation copies are available. Download your copy from this page. No support is available for this free product. Download installation instructions here. Visit this page for information on licensing the demo copy. Running on IRIX 5.2 or 5.3 based SGI workstations, HyperChem 4.5 is an affordable tool that makes computer simulation more accessible to researchers and educators. HyperChem can provide valuable insight into molecular structure, flexibility, and properties. You can compute heats of formation, ionization potentials, electron affinities, dipole moments, as well as UV-visible and IR spectra.

Compare and Contrast

HyperChem Lite 2.0 is a simplified version of HyperChem suitable for an initiation to molecular modeling.

HyperChem Release 7.5 adds other modules (QSAR, conformational searching,...) allowing you to do more. It also provides tools to adapt HyperChem to your needs (scripts, Chemist's Developer Kit, printing module).

HyperChem for SGI corresponds to the version 4.5 of HyperChem for Windows.

Features

Model Building

	HyperChem Lite 2.0	HyperChem 7.5 for Windows	HyperChem 4.5 for SGI
Building in 2D like on a sheet of paper and automatic 3D modeling for organic molecules or metallic complexes.	X	X	X
Building of polypeptides and nucleic acids. Mutation, insertion or replacement of an amino acid sequence.		X	X
Get an amino acid sequence (a character for an amino acid) manually or import a fasta file. Then specify the secondary structure including alpha helix, beta sheets (parallel or anti-parallel) to find the 3D model in HyperChem.		X
Building of polymers (improved on version 7), crystals and sugars.		X
Importation of structures from different formats (Brookhaven PDB, ChemDraw CHM, MOPAC Z-matrix, Tripos MOL2, MDL MOL and ISIS Sketch).	X	X	X
You can add annotations (text, arrows, circle, rectangle... and lines, ellipse that you can fill and color, etc... on Release 7) to explain your structures or to add captions to the surfaces.		X

Visualization

	HyperChem Lite 2.0	HyperChem 7.5 for Windows	HyperChem 4.5 for SGI
Visualization and different representations (CPK, BST, VdW spheres, cylinders, ribbons for proteins...).	X	X	X
3D representation or in plane of : molecular orbitals, electrostatic potentials, charge and spin densities. The 3D representation manages transparency.	X	X	X
Ray Traced picture generation with POV-Ray for a quality rendering.		X
You can create Ramachandran plot (energy vs torsion angle).	X	X
Visualization of AVI animations of molecular mechanics.	X	X
New rendering for aromatic rings.		X
Save as HTML page to store and display the structure, orbitals, IR and UV spectra and IR spectra with normal modes. You can download free and test the HTML visualization module.		X

Calculations

	HyperChem Lite 2.0	HyperChem 7.5 for Windows	HyperChem 4.5 for SGI
Optimization using MM+ force field.	X	X	X
Three specialized biomolecule force fields: Amber (Amber, Amber 2 Amber 3, Amber for saccharides, Amber 94, Amber 96), BIO+ (new release of CHARMM in the version 7), and OPLS. If some parameters were missing, HyperChem can use default ones to continue calculations.		X	X
Calculation of the wave function and molecular orbitals using Extended Huckel.	X	X	X
Semiempirical : CNDO, INDO : H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, Ge, As, Se, Br MINDO/3 : H, Li, Be, B, C, N, O, F, Si, P, S, Cl MNDO : H, Li, Be, B, C, N, O, F, Al, Si, P, S, Cl, Ge, I MNDO/d AM1 : H, Li, Be, B, C, N, O, F, Al, Si, P, S, Cl, Zn, Ge, Br, I PM3 : H, Be, C, N, O, F, Mg, Al, Si, P, S, Cl, Zn, Ga, Ge, As, Se, Br, Cd, In, Sn, Sb, Te, I ZINDO/1 : H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd ZINDO/S : H, C, N, O, F, Mg, S, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn New parameters are added at each update. You can also add your own parameters or modify existing ones.		X	X
TNDO : Typed Neglect of Differential Overlap		X
Ab initio calculations (STO-1G to D95*) including the standard STO-3G, 3-21G, 6-31G, and 6-31G** basis sets. You can define your own basis sets.		X	X
Perform quantum calculations on part of a molecular system, such as the solute, while treating the rest of the system classically		X	X
Module of molecular dynamics. For example, a charged system will now drift in the workspace during a molecular dynamics run if an external electric field has been applied.		X	X
Record your AVI animations for molecular dynamics.		X
Langevin dynamics simulations add frictional and stochastic forces to conventional molecular dynamics to model solvent collisional effects without inclusion of explicit solvent molecules.		X
Building under constraints for optimizations or dynamics.		X	X
Metropolis Monte Carlo simulations sample configurations from a statistical ensemble at a given temperature and are useful for exploring the possible configurations of a system as well as for computing temperature dependent equilibrium averages.		X
Transition state searching.		X
Computation of polarizability tensors.		X
IR spectra calculations and visualization, and vibrational mode animations. UV spectra calculation and visualization with ZINDO/s.		X	X
Isotope effects on vibrations.		X	X
Overlay two molecules by minimizing the distance between corresponding atoms in the two target molecules, displaying the residual error (RMS fit).		X
Conformational analysis.		X
QSAR module. Atomic charges, using the Gasteiger-Marsili method, Van der Waals and solvent accessible surface areas, molecular volumes, LogP, refractivity, polarizability...		X
New optimizations : of the Geometry of Excited States , of MP2 Correlated Geometries , as for IR and UV/ VIS spectra, molecular dynamics, Monte Carlo, etc.		X

Tools

	HyperChem 7.5 for Windows	HyperChem 4.5 for SGI
Database management (HyperChem Data). You can associate structures and corresponding properties in a database (MS Access).	X
The script language allows to drive HyperChem or externally with Visual Basic or MS-Excel.	X	X
Script editor	X
Development tool (Chemist's Developer Kit) allowing to add new functions or menus, and to make links to other programs.	X
HyperNMR has been integrated to HyperChem and allows to predict NMR spectra.	X
New optional external magnetic field (in addition to the external electric field of the previous release).	X
Interactive edition and manipulation of selected parameters associated to atoms, bonds, and torsion angles.	X
A database containing 10,000 molecules optimized with HyperChem have been added. This module allows to search and to get molecules for molecular modeling calculations.	X

Recommended Configuration and Licensing Options

Operating system	Windows 2000 or Windows XP
Minimal configuration	Pentium 4 or Athlon XP 1.5 GHz or faster CPU 256 MB or more System memory ATI 9000, nVidia 5000 or later OpenGL compatible Graphics card 250 MB free Hard disk storage
Manuals	HyperChem Lite : electronic manuals. HyperChem Std : "Getting Started" and electronic manuals. HyperChem Pro : "Getting Started" and electronic manuals.
License and protection	HyperChem Lite : Software-licensing HyperChem Release 7: Physical key (parallel port or USB port dongle) or Software-licensing
Net version	Network version for any number of seats in floating license (software-license) or 1, 5, 10, 25 and unlimited seats (hardware lock)
Evaluation	Download free evaluation version of Release 7.5.

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