From owner-chemistry@ccl.net Wed Dec 30 09:45:01 2009
From: "Sangeetha Subramaniam srdshigella]~[gmail.com" <owner-chemistry!A!server.ccl.net>
To: CCL
Subject: CCL: Data processing before descriptor calculation
Message-Id: <-40978-091230011632-20558-6b+P/mbCMAU+jTA7HBNePg!A!server.ccl.net>
X-Original-From: "Sangeetha  Subramaniam" <srdshigella^^gmail.com>
Date: Wed, 30 Dec 2009 01:16:28 -0500


Sent to CCL by: "Sangeetha  Subramaniam" [srdshigella _ gmail.com]
Hi,

I would like to know the preliminary steps before calculating  descriptors for a compound (other than protonation). I am using Dragon for descriptor calculation. Since Dragon doesn't recognize disconnected structure (compounds with more than one structure in same file), I had to remove the smaller fragment of the compound.  
I am afraid doing so, because I might lose the complete information of the compound. Can anyone please guide me through.

Thanks
Sangeetha.