> Please do send me the site at: ayongye.sunchem.chem.uga.edu
Please register as a RED-I user
http://www.u-picardie.fr/labo/lbpd/RED/register
> Will RED-x do this for more than 10 orientations? I am looking at say 100?
We did a 52 molecule RESP fit... The problem is not with R.E.D. but the question
is can RESP handle such a huge number of conformations/orientations/restraints.
It worked pretty good in our 52 conformation-orientation-RESP-fit... regards,
Francois
F.-Y. Dupradeau
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
The Scripps Research Institute, La Jolla, CA, USA
--
http://www.u-picardie.fr/labo/lbpd/FyD.htm
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Received on Tue Apr 19 2005 - 15:53:00 PDT
