Hypercube, Inc

Hypercube s HyperChem is the best-known computational chemistry software package developed in Canada and marketed worldwide. Hypercube, Inc., the brainchild of Neil Ostlund, was incorporated in February 1985. The company has a headquarters in Waterloo, Ontario, adjacent to the University of Waterloo, but moved most of its operations to Gainesville, Florida, in 1997. 

The first phase of Hypercube s existence involved contracting for Intel in association with Intel s development of the first commercial highly parallel computer, the Intel iPSC hypercube computer. This is the origin of the com- 

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The HyperChem programs of Hypercube, Inc webpage http //www.hvper.com... 

Price category student, individual, production, departmental Platforms PC (Windows), SGI, HP-UX, Win CE Contact information Hypercube, Inc. 

The HyperChem program from Hypercube Inc. and UniChem from Oxford Molecular can be used as graphic interfaces to Q-Chem. At the time we conducted our tests, it was not yet available on all the platforms listed as being supported. The current version is well designed for ground- and excited-state calculations on small or large organic molecules. 

The HyperChem MMh- code and program also differ from MM2(1977) by having parameters in text files separate from the code. These parameter files are available for your modification and additions. The parameters distributed with HyperChem include the public domain values, generally referred to as the MM2(1991) parameter set, that Dr. Allinger contributed to HyperCube, Inc. Parameters not obtained from Dr. Allinger are appropriately labeled in the distributed parameter files. 

Hypercube Inc., 16 Blenheim Road, Cambridge, Ontario NIS 1E6 Canada. 

Hypercube, Inc. at http //www.hyper.com offers molecular modeling packages under the HyperChem name. HyperChem s newest version, Hyper-Chem Release 7.5, is a full 32-bit application, developed for the Windows 95, 98, NT, ME, 2000, and XP operating systems. Density Functional Theory (DFT) has been added as a basic computational engine to complement Molecular Mechanics, Semiempirical Quantum Mechanics and ab initio Quantum Mechanics. The DFT engine includes four combination or hybrid functions, such as the popular B3-LYP or Becke-97 methods. The Bio+ force field in HyperChem represents a version of the Chemistry at HARvard using Molecular Mechanics (CHARMM) force field. Release 7.5 of HyperChem updates... 

The preliminary modeled structures of the synthetic inhibitors described in this review were constructed and energy minimized by the author using HyperChem (1995, Hypercube, Inc., Release 4.5). Docking of these inhibitors to the active site of Factor Xa was accomplished by the author using the x-ray coordinates of native Factor Xa [4] and INSIGHT II (Biosym Technologies, Inc.) and the approach outlined in Section 6. 

Molecular mechanics, program adapted to HyperChem (HyperCube, Inc., 419 Phillip Street, Waterloo, Ontario, Canada N2L 3X2) and other commercially available graphics programs. The current force field is published in1121. 

Hypercube Inc. hyper sales hyper.com 352-371-7744 Gainesville, Florida... 

HyperChem is the PC-based molecular modeling and simulation software package marketed by Hypercube Inc. (http //www.hyper.com). The program provides molecular mechanics (with MM +, AMBER, BIO+ (CHARMm), and OPLS force... 

I. HyperCube, Inc., http //www.hyper.com/default.htm n. Product Summaries ... 

Tel. 800-424-9737, fax 415-491-8311 (U.S.A.), tel. 41-38-337633 (U.K.) Model building, display, charge density, electrostatic potential, and molecular orbital plots. Stick, sphere, and dot surface display. 2D to 3D conversion. Protein and DNA fragment libraries. MM+, BIO+ (implementations of MM2 and CHARMM, respectively), OPLS, and AMBER molecular mechanics and dynamics. Solvent box. Semiempirical calculations by Extended Hiickel, CNDO, INDO, MINDO/3, MNDO, AMI, and PM3. Originated at Hypercube, Inc. (Dr. N. Ostlund et al.), of Ontario, Canada. Runs under Windows on a 386 or 486 PC and under Motif on a Silicon Graphics workstation. 

HyperChem, Release 7.0, Molecular Modeling System for Windows, Hypercube Inc., 2002. 

In this chapter, we present new results based on semi-empirical quantum calculations (PM3) that include solvation and charging effects simultaneously on the same model SFA.71 These calculations were carried out in HyperChem 5.0 (Hypercube, Inc.). Solvation was carried out with two approaches. In the first approach, the neutral, gas-phase SFA model was simulated, then this molecule was deprotonated at each of four carboxylic acid sites. Finally, a solvation sphere of H20 molecules was used to surround the anionic SFA and the structure obtained via molecular dynamics simulations and energy minimizations as an isolated nanodroplet. This approach has the advantage of allowing maximum flexibility of the model SFA. Larger model systems may require long simulation runs to sample all available conformations, but isolation of the SFA and water allows each component to move more freely. 

Hyperchem, Release 6.01 for Windows, Molecular Modeling System, 2000 Hypercube, Inc. 

Hypercube, Inc., Hyperchem Users Manual, Computational Chemistry, Hypercube, Inc., Waterloo, Ontario, Canada, 1994. 

Today, quantum chemistry calculations are carried out on a wide range of machines and architectures from a personal computer to a state-of-the-art supercomputer. To date, the vast majority of computational chemists have been content to use general purpose computers in their work designing software to exploit the capabilities of commercially available machines. However, as long ago as 1977 in a volume entitled Personal Computers in Chemistry, published by the American Chemical Society, Neil Ostlund of Hypercube Inc., expressed the view that chemists should be involved in the construction of the machines that they use ... 

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