CAChe WorkSystem Pro 6.1
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CAChe 6.1 Speeds the Discovery Process
with Higher Accuracy and Larger Molecule Capability
CAChe 6.1 for Windows is a leading computer-aided chemistry modeling package for experimental chemists conducting research in life sciences, materials and chemicals, as well as for undergraduate and graduate educators. The new Version 5.0 includes a new semiempirical method with 4x greater accuracy than current methods, challenging even experimental accuracy; modeling of molecules with up to 20,000 atoms; the inclusion of all main group elements in one semiempirical method; and more.
New in CAChe 6.1
4x Accuracy
CAChe 6.1 includes 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.
Includes All Main Group Elements
Unlike competing semiempirical methods, the new PM5 method in CAChe 6.1 now provides all main group elements, including Li, Be, B, Na, Mg, K, Ca and more not previously available in AM1 or PM3. This new functionality opens new areas of research and is especially important for biological systems.
MOPAC AM1-d Supports More Transition Metals
In addition to the already present Pt, Fe, Cu, and Ag transition metals, CAChe 6.1 now also supports Mo, V, and Pd.
Giant Molecules
Researchers can now work with reaction modeling on molecules of up to 20,000 atoms and quantum chemistry calculations on whole proteins and polymers.
Proteins and Biomolecules
Researchers can now import and display in 3D proteins from the Protein Data Bank (PDB), optimize proteins, dock ligands, and model reactions on these large molecules. New search and display commands and a spreadsheet view of the atoms, groups, and properties ease navigation through and analysis of these giant structures.
The new Protein Sequence Editor lets researchers align two or more proteins, an important step in comparing homologs and predicting structure-function relationships. The editor also lets researchers build new protein structures from an amino acid repository of structures.
All on Windows
Many competing packages run only on UNIX workstations due to molecule size and speed of display. Now, CAChe 6.0 brings high-performance molecular modeling and analysis to the scientist's Windows desktop with full stereoscopic capabilities.
System Requirements
Windows 98, 2000, Me, NT4
128 MB RAM minimum; 512 MB recommended for protein analysis
10 GB hard drive minimum
500MHz Pentium III or faster
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