Subject: UNITYORCATALYST

From: <[email-masked]>
Date: Thu, 4 Apr 1996 16:03:36 +0100

Dear CCLrs,

Did anybody make a comparison between the software
packages CATALYST from msi and UNITY from TRIPOS ?
We have used UNITY for the last two years and got
used to search times of several hours for flexible
3D searches. A publication in J Comp Aided Mol Des
about CATALYST mentioned search times in the range
of several minutes.
Of course this relates to the fact that in CATALYST
the conformations are already calculated before the
actual 3D search is performed. But still... 
Are there other important/critical differences that
would favor one above the other ?

Thank a lot in advance

Eric Haaksma
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Dr. Eric Haaksma

Dr. Karl Thomae GmbH
 Dept of Chemistry
 CADD
Birkendorferstr. 65
88397 Biberach Riss
Germany

e-mail : [email-masked]

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