CAChe Version 5.0 Provides up to 4X Greater Accuracy Than Current Quantum Mechanical MethodsBeaverton, OR (September 10, 2001) - The CAChe Group, Fujitsu, announces the release of CACheĆ Version 5.0, a leading computer-aided chemistry modeling software package, on Windows.
CAChe 5.0 boasts the new PM5 Hamiltonian, a MOPAC 2002 method for computing electronic properties of molecules and the first new MOPAC method since 1986. The PM5 method proves to be up to four times more accurate for heats of formation than current methods, such as AM1, PM3, and MNDO. Until now, the accuracy of semiempirical methods has been too low for many applications. An integral part of CAChe 5.0, the new MOPAC 2002 provides fast geometry optimizations, reaction modeling on molecules of up to 20,000 atoms, and quantum chemistry calculations on whole proteins and polymers.
Unlike competing semiempirical methods, CAChe 5.0 now provides all main group elements, including Li, Be, B, Na, Mg, K, Ca and more. This new functionality opens new areas of research and is especially important for biological systems.
CAChe 5.0 also imports Gaussian files for ready display and analysis on the desktop. In addition, researchers can now import and display in 3D proteins from the Protein Data Bank (PDB), optimize proteins, dock ligands, and model reactions of molecules with tens of thousands of atoms. New search and display commands and a workbook view of sample properties ease navigation and analysis through structures with thousands of atoms. The new Protein Sequence Editor lets researchers align two or more proteins, an important step in comparing homologs and predicting structure-function relationships, as well as build new protein structures from an amino acid library of structures.
Many competing packages run only on UNIX workstations due to molecule size and speed of display. In contrast, CAChe 5.0 brings high-performance molecular modeling and analysis to the scientist's Windows desktop with full stereoscopic capabilities.
CAChe provides top flexibility to researchers for their computational, analytical and research needs. As your requirements build, so do the CAChe products and their expanding functionality, including CAChe software versions for those requiring molecular mechanics and simple quantum mechanics (Personal CAChe); molecular dynamics and semiempirical quantum mechanics (Quantum CAChe); ab initio accuracy and density functional methods (ab initio CAChe); QSAR and project automation (WorkSystem); and automated conformational searching and analysis and the Protein Sequence Editor (WorkSystem Pro). BioMedCAChe contains the Protein Sequence Editor and other tools specialized to pharmaceutical and agrochemical applications.
About CAChe Group
CAChe Groupís suite of software tools for molecular modeling, originally launched in 1989, is used by experimental chemists conducting research in life sciences, materials and chemicals, as well as by educators at the undergraduate and graduate levels. Purchased by Fujitsu Limited in 2000, CAChe Group is the US flagship business within Fujitsuís global unit for cheminformatics software research and development. Scientists use CAChe to predict structure, properties and mechanisms of drugs, organics, catalysts, polymers, biomolecules, liquids and gases.
About FujitsuFujitsu Limited (TSE: 6702) is a leading provider of Internet- based information technology solutions for the global marketplace. Comprising over 500 group companies and affiliates worldwide-- including ICL, Amdahl and DMR Consulting -- it had consolidated revenues of 5.26 trillion yen ($49.6 billion) in the fiscal year ended March 31, 2000. Fujitsu's pace-setting technologies, world-class computing and telecommunications platforms, and global corps of over 60,000 systems and services experts make it uniquely positioned to unleash the infinite possibilities of the Internet to help its customers succeed. Altogether, the Fujitsu Group has 188,000 employees and operations in over 100 countries.
Contacts: Joleen Rau, Marketing Manager
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David Gallagher, CAChe Group, Fujitsu Systems Business of America
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