Subject: Molecular Modeling Packages Users Experience?

From: [email-masked] (Gustavo A. Mercier, Jr.)
Date: Mon, 17 Jul 1995 13:43:25 -0500

Hi!

We are in the process of acquiring a Molecular Modeling Package, such
as Quanta, etc. It would be useful to hear from other users experiences.

We are particularly interested in doing Brownian Dynamic Simulations of
dendrimers tagged with transition metals or lathanides. We recognize that
the available systems are rather poor in handling metals, but we are more
concerned with structure building (including use of symmetry to expedite
model building), interface to quantum mechanical packages (especially
those with DFT implementations), and display of molecular properties and
trajectories.

We would be interested in comments from users of Insight/Discover,
Quanta, Sybyl, Cerius2, and any others.

I will summarize for the net!

Thanks!

Gustavo Mercier, Jr M.D.-Ph.D.
NIH - LDRR
OD OIR LDRR
Building 10 Room B1N256
10 Center Dr MSC 1074
Bethesda, Maryland 20892-1074
phone: 301-402-3586, 301-496-1981
fax:      301-402-3216
e-mail: [email-masked]