AW: QSAR - Salt removing

From: Alexander Kos <akosgmbh###t-online.de>
Date: Sat, 21 Jun 2003 18:43:22 +0200

Dear Fred

I am afraid this will not help you, especially if you want to do something
quick, and may be only once.

There are many people asking for some database and/or file manipulation. In
general, I have access to MDL, and somebody comes up with a script. However,
there is a more general solution to these kind of manipulations. I was
really exited when I saw it, because it eliminated the need to write code.
Have a look at SciTegis’s Pipeline Pilot. Before you can do “everything”.
They have a way to go, but it is a promising start.

With best regards,
Alex

------------------------------------
AKos Consulting & Solutions GmbH
Dr. Alexander Kos
P.O.Box 534
Picassoplatz 4
CH-4010 Basel
Tel. +41 61 271 6487
Fax +41 61 271 6488
Address in Germany:
Austr. 26
D-79585 Steinen
Germany
Phone: +49 7627 970068
Fax: +49 7627 970067
Mobile +49 171 526 9392
E-mail: akos{}akosgmbh.de
Homepage: www.akosgmbh.de
Authorized agent for:
MDL Information Systems, Inc. (www.mdli.com and www.beilstein.com)
Material Science International Services, GmbH (www.matport.com)
DIMENSION 5, Ltd. (www.miner3d.com)
NovaTek (www.ntint.com)
------------------------------------

-----Ursprüngliche Nachricht-----
Von: qsar_society-admin]_[accelrys.com
[mailto:qsar_society-admin ~~ accelrys.com]Im Auftrag von Frédéric Ooms
Gesendet: Freitag, 20. Juni 2003 08:53
An: qsar_society,+,accelrys.com
Betreff: QSAR - Salt removing

Dear all,
I would like to know if some script are available to remove salt from an SD
file. I am looking for a standalone script working under Windows 2000.
Best regards
Fred Ooms
Received on 2003-06-21 - 06:50 GMT

This archive was generated by hypermail 2.2.0 : 2005-11-24 - 10:21 GMT