From chemistry-request |-at-| ccl.net Fri Dec 3 07:36:07 2004 Received: from anubis.medic.chalmers.se (anubis.medic.chalmers.se [129.16.30.218]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id iB3Ca5iK016153 for ; Fri, 3 Dec 2004 07:36:06 -0500 Received: from fy.chalmers.se (f2-pc31.fy.chalmers.se [129.16.110.231]) by anubis.medic.chalmers.se (Postfix) with ESMTP id 83E5B4072; Fri, 3 Dec 2004 13:50:57 +0100 (CET) Message-ID: <41B06337.7000404^at^fy.chalmers.se> Date: Fri, 03 Dec 2004 13:59:35 +0100 From: Patrik Johansson User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv:1.0.1) Gecko/20020823 Netscape/7.0 X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry^at^ccl.net Subject: Cavity volume by electron density? Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear CCLers, Does anyone know how to (crudely) compute the cavity exposd to a guest within e.g. a cryptand by using the electron density of the host? Any free software? /Patrik