From chemistry-request@ccl.net Mon Jun 27 19:03:50 2005 Received: from stone.congenomics.com (stone.congenomics.com [65.160.254.44]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5RN3mvI022501 for ; Mon, 27 Jun 2005 19:03:48 -0400 Received: from stone.congenomics.com (localhost [127.0.0.1]) by stone.congenomics.com (SGI-8.12.5/8.12.5) with ESMTP id j5RMLxW5603923 for ; Mon, 27 Jun 2005 18:21:59 -0400 (EDT) Received: (from donna@localhost) by stone.congenomics.com (SGI-8.12.5/8.12.5/Submit) id j5RMLwUQ603271 for chemistry=at=ccl.net; Mon, 27 Jun 2005 18:21:58 -0400 (EDT) From: Donna Bassolino-Klimas Message-Id: <200506272221.j5RMLwUQ603271=at=stone.congenomics.com> Subject: Re: CCL:W:A liitle help with Insight To: chemistry=at=ccl.net Date: Mon, 27 Jun 2005 18:21:58 -0400 (EDT) Reply-To: donna=at=dbkonline.com In-Reply-To: from "Jeff Nauss" at Jun 27, 5 08:55:20 am X-Mailer: ELM [version 2.4 PL25 ME8b] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.4 X-Spam-Checker-Version: SpamAssassin 3.0.4 (2005-06-05) on server.ccl.net > > Ensure that you have add hydrogen atoms to your molecule. Modeler > typically does not place all hydrogens in your structure. Thus as far as > InsightII and Discover are concerned you do not have the correct > chemistry. > Also remember to add the hydrogens at neutral pH ... otherwise some will be charged and your resulting structure will have an overall charge. Donna =================== Donna Bassolino-Klimas, Ph.D. DBK Web Development donna=at=dbkonline.com www.dbkonline.com