ChIN简介页:CAChe, Fujitsu Limited
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CAChe, Fujitsu Limited


     David Gallagher, CAChe Group, Fujitsu Systems Business of America
(503) 531 3600,


Predict and Visualize Chemical Structures Containing Any Elements: Build any organic or inorganic molecule you can imagine, and predict its structure and properties. Input structures from X-ray data or standard database and file formats. Dock molecules in reaction sites. Conformational search tools identify structure-energy relationships.

CAChe includes quantitative tools so you can predict boiling points, toxicity, antibacterial activity, acidity and basicity, vapor pressure, water solubility and more, even for compounds which have never been synthesized.

     Washington,DC (August 21, 2000) - The CAChe Group of Fujitsu announced today that MOPAC 2000 with its giant molecule capability and patented quantum chemistry will be included in the 4.4/4.5 release of the CAChe Worksystem, Quantum CAChe, and CAChe for Medicinal Chemists. The 4.4/4.5 release is scheduled for October.

MOPAC 2000 with its patented quantum chemistry brings giant molecule calculations to the desktops of both Windows and Macintosh users. Quantum calculations on molecules to a thousand atoms take only minutes.

  课程材料: 分子模拟软件CAChe教程, Virginia Tech

Summary by 李晓霞 on 2001-08-16

Last updated by 李晓霞 on 2003-03-24

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