RE: QSAR - Looking for a computer program

Thanks for the offer. A couple of solutions have come in.

Yvonne

"Agrafiotis, Dimitris" <Dimitris.Agrafiotis+/-3dp.com>
Sent by: qsar_society-admin]^[accelrys.com
11/18/02 01:24 PM
Please respond to qsar_society

 
        To: "'qsar_society%a%accelrys.com'" <qsar_society\a/accelrys.com>
        cc:
        Subject: RE: QSAR - Looking for a computer program

Hi Yvonne,
 
We do this trivially with our tools, but they are not commercially
available. I would be more than happy to process your SDF file and export
your structures in an Excel file, if you only want to do this once
(or maybe twice :) and are not concerned about confidentiality.
 
Cheers,
 
---
Dimitris K. Agrafiotis, PhD | E-mail: agrafiotis[a]3dp.com
3-Dimensional Pharmaceuticals, Inc. | Tel: (610) 458-6045
665 Stockton Drive, Suite 104 | Fax: (610) 458-8249
Exton, PA 19341 | http://www.dimitris-agrafiotis.com
  
-----Original Message-----
From: yvonne.c.martin:abbott.com [mailto:yvonne.c.martin],[abbott.com]
Sent: Monday, November 18, 2002 11:14 AM
To: qsar_society : accelrys.com; Gasteiger*_*ccc.chemie.uni-erlangen.de
Subject: QSAR - Looking for a computer program

Hi all,

I have an sdf file with 2D coordinates. I want to make a print-out with 12
structures per page. I've tried the Daylight Prado program, but it doesn't
use the input coordinates and consequently makes some uninterpretable
pictures of macrolides. Is there a program that will do what I am looking
for?

Yvonne
Received on 2002-11-18 - 16:58 GMT