From owner-chemistry@ccl.net Mon Nov 28 03:17:01 2005
From: "Vladimir V. Zernov VZernov**asinex.com" <owner-chemistry^_^server.ccl.net>
To: CCL
Subject: CCL: STRUCTURES TO SMILES
Message-Id: <-30086-051128022702-25269-8pF/qKXZfvpkajLefYGJIg^_^server.ccl.net>
X-Original-From: "Vladimir V. Zernov" <VZernov%x%asinex.com>
Content-Class: urn:content-classes:message
Content-Transfer-Encoding: 8bit
Content-Type: text/plain;
	charset="koi8-r"
Date: Mon, 28 Nov 2005 09:49:53 +0300
MIME-Version: 1.0


Sent to CCL by: "Vladimir V. Zernov" [VZernov:-:asinex.com]
See http://frowns.sourceforge.net/examples/example4.py
specifically and 
http://frowns.sourceforge.net/
in general

Install Python and have with above-mentioned example batch MOL/SDF -> SMILES convering

Best, Vladimir

-----Original Message-----
> From: ragubalaji n ragubalaji_._gmail.com
[mailto:owner-chemistry _ ccl.net]
Sent: Friday, November 25, 2005 7:01 PM
To: Vladimir V. Zernov
Subject: CCL: STRUCTURES TO SMILES


Sent to CCL by: "ragubalaji  n" [ragubalaji::gmail.com]
Hi all,

I am looking for tool where SMILES strings  can be generated from  structures or connectivity tables.  Could anybody tell me where I can find it?
Thank you very much.

ragu
Bangalore
ragubalaji[#]gmail.comhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt