In the News..

28-09-2006

HyperChem for Mac

HyperChem for Mac B.1 is designed for the PowerPC processor that Apple traditionally used. The supported machines include Mac mini, iMac, iBook, PowerBook, and PowerMac. Unfortunately the G5 machine is not supported due to the fact HyperChem is 32-bit and is not compatible with the 64-bit G5.

HyperChem for Mac B.2 for the newest release from Apple of the Intel Mac.

Protein Module for HyperChem

Homology Modeling for HyperChem is a package that consists of some module programs which are required for performing the protein modeling, functional analysis, and simulations using HyperChem which is well-known molecular modeling software in the world. The individual module programs in the package carry out new technologies. Therefore, by the fusion of these technologies to the HyperChem functions, the package serves as the latest structure-based drug design system in the drug discovery as well as serves as the latest protein modeling, functional analysis, and simulation systems.

Software Development for Researchers

Homology Modeling for HyperChem is designed to reflect intuitive operation. That is, almost all of purposes can be performed only using the "Execute" button in the individual module programs. Moreover, it is only necessary to operate a rotation of molecules in the HyperChem workspace, since several tools conferred from the package can automatically navigate the operations. For example, the program distinguishes between proteins and other molecules, and shows differences of these molecules. The "Undo" function is available when the structure is modified. An objective part is automatically centralized in the HyperChem workspace. Thus, it is possible to make homology modeling of proteins without any knowledge for the HyperChem operations, although power users can carry out all functions of HyperChem.

Applicability for the Complicated Molecule System

Homology Modeling for HyperChem covers almost all of the PDB structural data registered to date, since the package can deal with the extreme number of atoms (about 100,000 atoms) which are the limitation of HyperChem. The protein modeling as well as the protein functional analysis can be carried out under all conditions, where the molecule system can contain small molecules, metals, and polymers, etc. Moreover, the protein modeling can be performed using our new technology, even though the above molecules and atoms covalently bind to protein molecules. Their atom types are assigned automatically, and their atomic charges can be generated using many theoretical calculations. Otherwise, it can also give manually. Thus, the package can support the high-level, structure-based drug design such as the lead optimizations, since the package can analyze the detailed interactions between compounds such as seed and lead compounds and protein molecules such as the highly-precise protein models and the crystal structure optimized by this package.

The Most Powerful Computational Chemistry Environment

Homology Modeling for HyperChem provides a powerful protein functional analysis environment, since this package supports all theoretical calculations integrated into HyperChem. The package can also use those supported in combinations of Mopac2000 and Mopac Interface for HyperChem and those supported by Q-Chem for Windows, if these programs are available. Moreover, the package can automatically reflect the electronic state of all molecules except for protein molecules to the corresponding molecules in the HyperChem workspace via Gaussian Interface for HyperChem. In addition, in the professional version, the whole molecular system in the HyperChem workspace can be operated in a quantum chemistry via ONIOM Interface for Receptor.

Other Features

Each module program in the package can run independently and simultaneously. No preparation and editing are necessary for parameter files and PDB files. Of course, a detailed log file including the used parameters and the results are generated automatically. The individual module programs in the package carry out a file manager function. The early versions of HyperChem can be renewed as the latest protein modeling and functional analysis environment, since the package runs on HyperChem 5.x, 6.x, and 7.x.

Powerful Performance

Moreover, Homology Modeling for HyperChem shows the powerful performance which is able to support logically an unexplored study such as the ligand recognition mechanism of receptor. On the other hand, the package has achieved an excellent cost performance, i.e., the introduction cost of this package (with infinite license for time) needs only one hundredths of price in comparison with that of the corresponding products (with limited license for one year) of other venders. Since this package runs on the Intel based Windows platforms, large advantage of both computational cost (computational speed) and user interface is expected in comparison with those of the corresponding system in the Unix platforms.

Reproducibility and Logical Molecular Modeling

Homology Modeling for HyperChem can provide the reproducibility and logicalness of the models by performing molecular modeling on HyperChem consistently. As the results, the package enables large shortening of total operations, as well.