Dr Phil Hastings wrote :
>During validation it solved around 50 structures, up to 18 degrees of
>freedom. Although I wouldn't like to say that it could solve every problem,
>it does seem to be widely applicable. The software was released at the end
>of 1998 as a commercial product, fully integrated within Cerius2, and is
>available to members of MSI's Pharmaceutical Development Consortium
...
>I'll be happy to send further information to anyone who requires it.
Yes, please.
Any reference corresponding to the solution of a really
previously unknown molecular compound ? Up to now,
the total number of such previously unkown molecular
compounds is not much larger than 50, since 10 years.
Is the SDPD Round Robin sample 2 among your
successful validation tests (tetracycline hydrochloride) ?
Armel Le Bail - Université du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://www.cristal.org/
