Macs in Chemistry

Insanely Great Science


R.E.D. allows computational biologists involved in AMBER/GAFF, CHARMM, GLYCAM & OPLS force field based biological studies to automatically derive highly effective and reproducible charge values, and to build force field libraries for new molecules and molecular fragments.
New features available:
- Bug corrections in R.E.D. III.2,
- Portability on Windows platforms through the Cygwin environment making the R.E.D. tools fully functional on UNIX, Mac OS X and Windows operating systems (thanks to the contribution of T. Patko - California State University, Long Beach, CA, USA),
- Interface of Gaussian 2009 is implemented (as for g03, g98 & g94),
- Improvement of GAMESS-US & PC-GAMESS interface & new interface for WinGAMESS,
- Implementation of a new Re_Fit mode allowing charge re-fitting and force field library re-building from a previous R.E.D. run,
- Development of the Mini-Howto and creation of a History file summarizing the features implemented in the R.E.D. tools,
- Creation of a benchmark of charge values for models with an automatic checking procedure & connection with R.E.DD.B.
- New manuals (History, Howto and Guides) are available in the PDF file format. See the "Documentation" section from the R.E.D. web site
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