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HyperChem for the Mac is a native OSX version for Jaguar, Panther, and Tiger
Multiple Simultaneous Molecular Systems
Now you can work with multiple instances of HyperChem and take advantage of multiple cored processors.
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HyperChem's Traditional Ease of Use
This version of HyperChem for the Mac improves upon the familiar and easy to use front end of the Windows version.
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OpenGL Graphics
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.
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Cut and Paste Molecules and Images
The ability to select, copy, and paste molecules in a 3-Dimensional workspace. For instance, you can cut and paste any amino acid sequence. A piece can be cut out, a piece inserted, or a sequence of one length replaced by a new sequence of a different length. |
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PDB File Reading and Writing
HyperChem can import Protein Databank Files directly into the workspace. Also, molecular systems can be saved as PDB files. |
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Proteins and Nucleic Acids with Secondary Structure Renderings
HyperChem now supports four secondary structure descriptions - helices, sheets, turns, and coils. The secondary structures can be individual selected, colored, and rendered using a new secondary structure rendering capability. |
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Optimization with Restraints
User defined structural restraints may be added to molecular systems. These restraints will be respected during geometry optimizations. |
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Verlet and Langevin Molecular Dynamics
Langevin dynamics simulations add frictional and stochastic forces to conventional molecular dynamics to model solvent collisional effects without inclusion of explicit solvent molecules. |
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Monte Carlo Simulations
Metropolis Monte Carlo simulations sample configurations from a statistical ensemble at a given temperature and are useful for exploring the possible configurations of a system as well as for computing temperature dependent equilibrium averages.
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Vibrational and Electronic Spectra
Analysis of Spectra has been improved upon in this release of HyperChem for the Mac.
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Scripting
HyperChem's scripting capability is one of its most versatile features, allowing it to be controlled from outside using scripts or external programs. The Script Editor is a tool to assist you in developing scripts in the HyperChem language, and to send script messages directly to HyperChem as a command line. |
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| Ab Initio & DFT
HyperChem has many functionals availeable with these methods. |
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