From Lutz.Ehrlich@EMBL-Heidelberg.de Mon Sep 8 05:22:59 1997 Received: from stork.EMBL-Heidelberg.DE for Lutz.Ehrlich@EMBL-Heidelberg.de by www.ccl.net (8.8.3/950822.1) id FAA00536; Mon, 8 Sep 1997 05:02:10 -0400 (EDT) Received: from cuckoo.embl-heidelberg.de (cuckoo.EMBL-Heidelberg.DE [192.54.41.16]) by stork.EMBL-Heidelberg.DE (8.8.4/8.8.4) with ESMTP id LAA16929; Mon, 8 Sep 1997 11:02:10 +0200 (MDT) Received: by cuckoo.embl-heidelberg.de (8.7.1) id JAA16200; Mon, 8 Sep 1997 09:02:09 GMT Date: Mon, 8 Sep 1997 11:02:09 -6000 From: Lutz Ehrlich To: Verschelde Jean-Luc cc: chemistry@www.ccl.net Subject: Re: CCL:relative solvent accessible surface In-Reply-To: <322D9DA6.41C6@rug.ac.be> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi Jean-Luc. > What software package is able to calculate the relative solvent > accessible surface of proteins ? Check out http://www.embl-heidelberg.de/Services/argos/ASC.21/asc2.html ASC is a package that is shell-oriented. If you want to use the software from within your own programs, use the NSC package http://www.embl-heidelberg.de/Services/argos/ASC.21/nsc2-down.html I wrote a Python wrapper for NSC which is fully interfaced with Konrad Hinsen's Molecular Modelling Toolkit (http://starship.skyport.net/crew/hinsen/mmtk.html). With this you can query your proteins/macromolecules for their surface. Feel free to contact me if you're interested. Cheers, Lutz --------------------- Lutz Ehrlich Structural Biology EMBL Meyerhofstr. 1 D-69012 Heidelberg Germany email: lutz.ehrlich@embl-heidelberg.de web : http://www.embl-heidelberg.de/~ehrlich phone: +49-6221-387-140 fax : +49-6221-387-517