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| Pocket HyperChem, from Hypercube, Inc. is the first ever chemistry software package to run on the Windows CE based devices. This product provides basic molecular modeling and computational chemistry functionality of HyperChem on a portable Palmtop PC platform. This portability allows 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. It is an easy-to-use yet powerful package with capabilities for visualizing, analyzing, and modeling molecules, and for communicating information about molecular structures. |
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| Model Building and Visualization | |
| Computational Methods | |
| System Requirements | |
| Differences between Pocket HyperChem and HyperChem | |
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| MODEL BUILDING AND VISUALIZATION | |
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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. |
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Pocket HyperChem's model builder turns rough sketches straight into 3D structures. It can even handle highly coordinated metal complexes. |
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Rendering choices include sticks, balls and cylinders, and CPK spheres, with and without shading. The orbitals and electron densities can be displayed as wire-mesh or shaded solid surfaces, or as contour plots. |
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Extensive selection and highlighting capabilities make it easy to focus on areas of interest in complex molecules. |
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Stylus control of stereochemistry, rotation around bonds,
and "rubber banding" of bonds makes manipulation of structures easy. |
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Pocket HyperChem presents molecular mechanics and semi-empirical quantum mechanics (molecular orbital) calculations in a single package. |
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Use the Extended Huckel method to calculate electronic properties and orbitals. |
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Use the MM+ force field for general purpose molecular modeling, including geometry optimization to find stable structures. |
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Build in structural restraints to your optimizations. |
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Display orbital energy levels, and the orbitals
themselves, as 2D contour plots or as 3D "solid" objects. |
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| Requirements for the PC (necessary for loading the software onto the handheld device) | |
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IBM or compatible 486 or better PC. |
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Windows 95/NT or later |
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CD-ROM drive. |
| Requirements for the Handheld Device | |
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Windows CE 2.0 or later |
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Typical installation on the HP 620LX uses 2121 KB of Storage Memory and 364 KB of Program Memory |
| *This product was developed and tested on the HP 620LX and HP 660LX Palmtop PC | |
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The Pocket HyperChem software has only the 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.
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HyperChem, Pocket HyperChem, HyperChem Lite, ChemPlus, and HyperNMR are trademarks of Hypercube, Inc. Windows is a trademark of Microsoft Corporation. All other brand and product names are trademarks of their respective holders. |
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(c) 1998, Hypercube, Inc. All Rights Reserved.
