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===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 <http://www.dimitris-agrafiotis.com/>
  

-----Original Message-----
From: yvonne.c.martin|*|abbott.com [mailto:yvonne.c.martin|a|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 - 15:10 GMT