Subject: Need your help

From: Pong <[email-masked]>
Date: Fri, 15 Nov 2002 14:52:48 -0800

Dear memeber of CCL,

I'm Mr PONG. I would like to have your advice about the program to
calculate the geometry of chemical structure. I mean, to measure the
distance, aggle and dihedral angle. Yes, there are many  programs which
is very easy to do that, I know. But I need the program to measure all
compounds at the same time. This was due to I have thousands conformers
generation by systematic search. All have the same atom type and number,
just only different in conformers. Sure! they must be difference in term
of geometry (distance, angle, and torsional angle). Is there any
program?  that I can specify the atom that I want to measure, for
example A-B, A-B-C and A-B-C-D for distance, angle, and torsional angle,
respectively. And use this atom point to be calculate for all conformers
in the same time, not need to select one conformer and calculate for
each one. It's not possible to do if i have many thoudsands conformers.
So, if you have any program capable to to that, could you please  to
inform me too. I would like to thank for all your kindness to consider
my problem. Thank you .

Pong