Multiple Simultaneous Molecular Systems
Now you can work with multiple instances of HyperChem and take advantage of multiple cored processors.
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.
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.
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.
PDB File Reading and Writing
HyperChem can import Protein Databank Files directly into the workspace. Also, molecular systems can be saved as PDB files.
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.
Optimization with Restraints
User defined structural restraints may be added to molecular systems. These restraints will be respected during geometry optimizations.
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.
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.
Vibrational and Electronic Spectra
Analysis of Spectra has been improved upon in this release of HyperChem for the Mac.
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.