Re: QSAR - Looking for a computer program from Richard.Ann on 2002-11-18 (QSAR and MS List)

From: Richard.Ann
Date: Mon, 18 Nov 2002 15:07:44 -0500

Yvonne,
I am sure there are other ways out there, but I know the ACD ChemFolder
application will input an SDF and provide you a tiling view of the
resulting database (i.e. all your structures on the same page with
selected fields). You can visit www.acdlabs.com to download a free 30
day trial version to do what you want to do. I'm guessing that the
CambridgeSoft ChemFinder application will do the same, but am not sure.
Regards,
Ann

*******************************************
Ann M. Richard
Mail Drop 68
National Health and Environmental Effects Research Laboratory
US Environmental Protection Agency
Research Triangle Park, NC 27711
tel: 919-541-3934
fax: 919-541-0694
email: richard.ann=epa.gov
*******************************************

                      yvonne.c.martin _ abbo
                      tt.com To: yvonne.c.martin_+_abbott.com
                      Sent by: cc:
                      qsar_society-admin*a Subject: QSAR - Looking for a computer program
                      ccelrys.com


                      11/18/02 11:13 AM
                      Please respond to
                      qsar_society

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 - 15:55 GMT