Subject: QSAR - Followup, again

From: "Miller, Susan [PRI]" <[email-masked]>
Date: Wed, 12 Mar 1997 10:49:14 -0500

Hi all,

  Thanks again for all of your responses. I will post a summary in a
couple
of days when the discussion is over. All of the responses I've received
so
far have come to CCL and not to my personal mailbox, but if it is
desired,
I can still post a compilation of the responses.

  I forgot to mention 2 very important facts:

   1) I am using SYBYL and have no access to anything else, save the
       free software on the net. I cannot use that however, for the
second 
       reason.

   2) My mentor insists that I do the overlays by hand, that is, by
using
       the fit module in SYBYL and picking points, with the mouse, to
fit.
       I must also do torsion adjustments by hand, that is, by choosing
       a torsion angle for each bond and applying it, using either the
twist
       widget in the upper left corner of the screen or the modify
torsion
       command.  

                                           Susan