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Scientific Software Services :: Chemistry :: Molecular Modeling :: Pocket HyperChem Release 1.1

Pocket HyperChem Release 1.1 #88

Pocket HyperChem is the first chemistry software to run on Windows CE based devices. This product provides the basic molecular modeling and computational chemistry functionality of HyperChem on a portable Palmtop PC platform, allowing the user the freedom to think and work in environments beyond those possible with desktop PC's or notebook computers.

Pocket HyperChem is an integrated and flexible molecular modeling product for researchers, educators, and students, presenting molecular mechanics and semi-empirical quantum mechanics (molecular orbital) calculations in a single package. The software is easy to use yet powerful, with capabilities for visualizing, analyzing, and modeling molecules, and for communicating information about molecular structures.

Pocket HyperChem is currently available only in the Semi-Empirical Version:

Pocket HyperChem 1.1 Semi-Empirical Methods
- The full set of semi-empirical methods is available Pocket HyperChem 1.1, allowing research level calculations in your pocket! These include calculations of electronic spectra using ZINDO, vibrational analysis calculations with PM3, or structure optimizations with any of our full set of semi-empirical methods. These calculations can be performed with the typical amount of memory of most handheld computers.

Feature Summary

MODEL BUILDING AND VISUALIZATION

Building molecules with Pocket HyperChem is simple:
- choose an element from a periodic table, then tap and drag with the stylus to sketch a structure

Pocket HyperChem's model builder turns rough sketches into 3D structures. It can even handle highly coordinated metal complexes.
Rendering choices include sticks, balls and cylinders, and CPK spheres, with and without shading. Orbitals and electron densities can be displayed as wire-mesh or shaded solid surfaces, or as contour plots.
Extensive selection and highlighting capabilities make it easy to focus on areas of interest in complex molecules.
Stylus manipulation of structures is easy. Rotate, translate and zoom to view a molecule or modify its structure.

COMPUTATIONAL METHODS

Pocket HyperChem SE:

MM+ and Extended Huckel.
Perform calculations, including optimization, using the full range of semi-empirical methods: CNDO, INDO, MINDO3, MNDO, AM1, PM3 and ZINDO.
Calculate electronic and vibrational spectra.
Calculate orbital energy levels, and display orbitals as 2D contour plots or 3D surfaces.

SYSTEM REQUIREMENTS

Requirements for the PC (necessary for loading the software onto the handheld device)

Intel Pentium or later processor
Windows 98, ME, NT, 2000 or XP
CD drive
Connection to the Pocket PC

Requirements for the Handheld Device

Windows Mobile™ 2003 or Pocket PC 2002 based Pocket PCs
Windows CE 2.0, 3.0 devices compatible with ARM, SH3 and MIPS processors
Support for Pocket PC's, e.g., Casio 125 and HP Jornada 548, and Handheld PC's, e.g. HP Jornada 660 and 720.

Feature Differences Between Pocket HyperChem and HyperChem Professional

The Pocket HyperChem software has only one general molecular-mechanics method (MM+) and lacks other molecular mechanics force fields, which are specialized for biological macromolecules, available in HyperChem. Pocket HyperChem does quantum mechanics calculations only with the Extended Huckel method (which does only single-point calculations), but it has an extended parameter set to cover the entire periodic table except for the actinides and lanthanides.

The Pocket HyperChem software cannot be operated by scripts or external software links as the regular version can; it does not allow DDE links and therefore will not work with ChemPlus. Pocket HyperChem can not save a picture as a bitmap or metafile to a file or to the Windows Clipboard. The Pocket HyperChem software can read any .HIN file processed by a regular version of HyperChem. Pocket HyperChem only reads and writes files in .HIN file format, unlike the regular version which reads a variety of file formats. Other software (including, of course, the regular version of HyperChem) can be used to translate other file formats to .HIN file format for Pocket HyperChem to read. Pocket HyperChem does not perform any Ab Initio calculations, nor are Molecular Dynamics, Monte Carlo or other statistical mechanical procedures available. Certain specific functionalities, such as peptide and nucleic acid builders, are missing.

Pocket HyperChem Release 1.11 - Packages and Pricing

Pocket HyperChem Release 1.11, 1 License	$ 99.00
Pocket HyperChem Release 1.11, 5 Licenses	$ 84.00
Pocket HyperChem Release 1.11, 15 Licenses	$ 80.00
Pocket HyperChem Release 1.11, 25 Licenses	$ 76.00

Details

Price: $76.00 (€ 68.40)

Options

Pocket HyperChem Release 1.1

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