Neue Version 8.0
Die neue Version 8.0 zeichnet durch folgende erweiterte Moglichkeiten aus.
Microsoft Vista Compatibility
Third-Party Interfaces
New Batch Capabilities
Universal Use of Double Precision
Undo and Redo Capabilities for Model Building
Easy Access to Molecules via a Recent File List
Geometric Measurement Involving Points, Lines, and Planes
A Chemical Substituent Operation
Revised Toolbar with Easier Access to Model Building
Calculation of Entropies and Free Energies
Calculation of Heat Capacities
Calculation of Zero-Point Energies
Computation of Rate Constants
Computation of Equilibrium Constants
New Semi-empirical Method, RM1
Further Capabilities for MP2 Perturbation Energies
Separation of Configuration Interaction from Single Points
Display of Line Width Envelopes for IR and UV Spectra
Separation of MM-QM Capabilities from Current Selection
Separation of Fixed Atoms from Current Selection
Vibrational Analysis for Molecular Mechanics
Applied Electric Fields for Molecular Mechanics
Explore "Particle-in-a Box" Wave Functions


Open GL - Moleküldarstellung

New Features Release 8.0

Open GL Rendering
The basic rendering modeling in HyperChem has been converted to a full new OpenGL model.
This affects all the molecular rendering, giving a generally higher quality of graphics throughout the product.

Custom Color Support
It is now possible to color molecules, backgrounds, etc. using any of 16 million available colors rather
than the traditional 8 standard colors that HyperChem has used in the past.

Mixed Renderings
The rendering of molecules supports different rendering for different parts of the same molecule.
That is any atom can be rendered using any of the rendering molecules -- stick, balls, ball and stick, etc.

Tube Rendering of Atoms
A new "tube" rendering is now available for atoms.

Manipulate Protein Structures
Extensive additions have been made to HyperChem's ability to deal with protein structures.
HyperChem now supports four secondary structure descriptions - helices, sheets, turns, and coils. T
he secondary structures can be individual selected, colored,
and rendered using a new secondary structure rendering capability.

Support for Secondary Structure Information in Protein Data Bank files
HyperChem recognizes and supports secondary structure information in its molecule files.
Information from protein database (PDB) files is captured for and retained in HIN files.
The peptide builder supports this new capability and adds a secondary structure description to all residues.

Protein Secondary Structure Rendering
Secondary structure rendering now includes ribbon lines, narrow ribbon sheets, thick ribbon sheets,
encompassing helical cylinders and a coil rendering.
These new renderings can be selected for any secondary structure or part of a secondary structure.
They can be colored globally or colored differently for specific residues.

Enhanced Protein Builder Capability
In addition to alpha helices and beta sheets, the peptide builder now supports beta turns,
parallel and anti-parallel beta sheets, left-handed alpha helices, 310-helices, and pi-helices.

Large Molecule Electron Density Approximation
A rapid new method is available for calculating and displaying the electron density and electrostatic potential of molecules.
For example, the new method makes it practical to very quickly display the electron density of large proteins.

Short Reference
· Enhanced atom and bond lables plus workspace annotations.
· Display of Ray-Traced images.
· Enhanced display of calculated properties including gradient vectors.
· Direct display of 1D and 2D Potential Energy plots.
· Compute QSAR properties.
· Integrated Protein Sequence Editor, Sugar Builder, Crystal and Polymer Builder.
· Built-in RMS Fit, Conformation Search and Script Editor.
· New parameters sets for AMBER and OPLS along with a default parameter set.
· Compute electric polarizabilities and hyperfine coupling constants.
· Study interactions with applied elctric fields.
· New capabilitiy for charge species.
· Publish results in HTML on the web.
Basic Features


Jetzt ChemPlus und NMR integriert

Semi-empirische Methoden: Hückel, CNDO, INDO, MINDO3, MNDO, AM1, PM3, ZINDO1+2 und ab initio Berechnungen. Molekülmechanik: MM+, AMBER, BIO+, OPLS, Langevin- Dynamik. Berechnung von IR und UV Spektren und Orbitalen. Strukturen können direkt am Bildschirm entworfen oder aus Datenbanken, z.B. in den Formaten PDB, MOPAC, MOL, ISIS, Z-Matrix übernommen werden.
Peptide oder DNA Moleküle werden aus der Grundstrukturbibliothek zu Faltblattstrukturen oder Helices einschließlich der Wasserstoffbrücken sekundenschnell verknüpft.
HyperChem ist ein offenes 32-bit System, das sich auch von von anderen Programmen her steuern lässt. Mit dem neuen CDK (Chemists Developer Kit) lassen sich nicht nur Animationen chemischer Reaktionen erstellen, auch die Ansteuerung über Fortran, C++ oder Visual Basic-Applikationen wird wesentlich erleichtert.

HyperChem is a sophisticated molecular modeling program that is known for its quality, flexibility, and ease of use. HyperChem provides 3-D visualization and animation, quantum chemical calculations, molecular mechanics and molecular dynamics, and drawing and database capabilities (and more) ; it is readily customizable and allows extensive user control. HyperChem interfaces easily to other programs, from desktop applications to user-written and third-party programs, making it an unusually versatile desktop molecular modeling program for PCs.

The first book in this series is
"Laboratory Experiments Using HyperChem"

by Mary L. Caffery, Paul A. Dobosh, and Diane M. Richardson. 

LABORATORY EXPERIMENTS