HyperChem 4.5 for SGI Workstations

Overview Model Building and Visualization Computational Chemistry What's New in HyperChem 4.5/SGI Hardware Requirements
	[3D Plot of the Charge Density of C60]

Download a Free Copy of HyperChem 4.5/SGI

HyperChem 4.5/ SGI  Downloads

Get a free, fully functional, permanent version of  HyperChem 4.5 for SGI Workstations.  Support no longer provided.

Download hchem45.agidemo.tar (6.9 MB)

Download the HyperChem 4.5/SGI Readme

Download the HyperChem 4.5/SGI Manual (9.5 MB)

  No Support is Provided

You can download a copy of the software package above. We will give you a free permanent license, but we no longer provide any support for this product, so you are on your own. The "README" file explains how to install the package.

   Free Permanent License

You will need to start the license manager to obtain your machine's server code, and then send that code to  license@hyper.com along with the machine server code along with your name, organization, address, and a request for a HyperChem 4.5/SGI license. Please be sure to include that you are requesting a license for the SGI Version 4.5 Demo Download in your email. 

Download a free copy of HyperChem 4.5/SGI

HyperChem 4.5/SGI  Downloads

THIS PRODUCT IS NO LONGER SUPPORTED  -  FREE COPIES CAN BE DOWNLOADED BELOW - NO SUPPORT WILL BE PROVIDED

Overview:  

HyperChem is an integrated and flexible molecular modeling product for chemists. It is a powerful package with capabilities for visualizing, analyzing and simulating molecules, and for communicating information about molecular structures.

Based on established computational chemistry methods, HyperChem unites sophisticated chemistry with ease of use. It allows scientists who are new to modeling to benefit from the technology, and for experienced modelers HyperChem offers a comprehensive, integrated set of tools for studying and predicting molecular properties.

Running on IRIX 5.2 or 5.3 based SGI workstations, HyperChem is an affordable tool that makes computer simulation more accessible to researchers and to 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.

Model Building and Visualization

• Building molecules with HyperChem is simple: you choose an element from a periodic table, and click and drag with the mouse to sketch a structure.
• HyperChem's model builder turns rough sketches straight into 3D structures. It can even handle highly coordinated metal complexes.
• Peptides and nucleic acids can be built from amino acid and nucleotide residue libraries.
• Molecular structures can be imported from several file formats, such as Brookhaven PDB, MOPAC Z-matrix, Sybyl MOL2 files, and XYZ coordinate files.
• Rendering choices include sticks, ball & stick, CPK spheres and tubes. Both side-by-side and hardware stereo viewing is available, and protein backbones can be viewed as ribbons.
• 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.
• Residue mutation in peptides and nucleic acids is straightforward.
• One can easily link to other 'C' or FORTRAN programs, by sending script commands via UNIX pipes.

Computational Chemistry

• HyperChem integrates molecular mechanics and quantum mechanics (molecular orbital) calculations into a single package.
• Choose from a number of pre-defined basis sets in ab initio, from STO-1G to STO-6G and 3-21G to 6-31G**, or create your own basis set.
• Choose from nine semi-empirical methods, all the way from Extended Huckel to AM1 or PM3.
• Choose from four mechanics force fields, MM+ for general purpose modeling or one of three specialized biomolecule force fields.
• Single point calculations, geometry optimizations, and molecular dynamics simulations are available with almost all methods.
• Build in restraints to your optimizations or dynamics runs.
• Compute and view IR spectra, and show animations of the vibrational modes.
• Compute UV spectra with ZINDO/S, developed specifically for this purpose.
• Display orbital energy levels and contour plots of the orbitals themselves.

What's New in HyperChem 4.5/SGI

• vibrational analysis and IR spectroscopy
• configuration interaction and UV-visible spectroscopy
• PM3 semi-empirical method
• ZINDO methods for transition metals
• display of orbital energy diagrams
• mixed molecular mechanics/quantum mechanics calculations
• stereochemical constraints
• ribbon display of macromolecules
• restraining forces
• interactive setting of velocities for exploring chemical reactions
• improved model builder
• faster molecular mechanics and semi-empirical calculations
• maximum bonds per atom increased to 12 from 6
• support for semi-empirical calculations for elements K to Xe
• ab initio calculations (SCF geometries and MP2 energies)
• ability to explore isotope effects in vibrational analysis
• can build square planar geometry
• can delete named selections

Hardware Requirements

• IRIS Indigo or Crimson with entry-level, XS + Z buffer, XS24 + Z-buffer, or Elan-level graphics; or
• IRIS 4D series workstation with TG-level or higher graphics; or
• Indy; or Indy2 with any graphics
• IRIX operating system 5.2 or later
• At least 16 MB RAM; 32 MB is recommended
• At least a 200 MB hard disk, HyperChem uses about 18 MB.
• CDROM drive; or 150 MB 1/4" tape drive; or 4mm DAT tape drive

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