RE: QSAR - Looking for a computer program

Hi Yvonne,

Accelrys has "Accord for Excel" that makes Excel chemically "SMART"
:-)... You can import structures into excel from various file formats
including .sdf. Attached with this email is a snapshot of the product.

Hope this helps.

Cheers

Amit

-------------------------------------------------------------
Amit Kulkarni, B.Pharm. Ph.D
Senior Scientist
Lead Identification and Optimization
Accelrys Division of Pharmacopeia Inc
---------------------------------------------------------------

"Agrafiotis, Dimitris" <Dimitris.Agrafiotis[]3dp.com>
Sent by: qsar_society-admin^^^accelrys.com
11/18/2002 02:24 PM
Please respond to qsar_society

 
        To: "'qsar_society^-^accelrys.com'" <qsar_society%x%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++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-x-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