From owner-chemistry ":at:" ccl.net Fri Sep 26 20:24:00 2008
From: "Elaine Meng meng,cgl.ucsf.edu" <owner-chemistry(_)server.ccl.net>
To: CCL
Subject: CCL: Connolly surfaces
Message-Id: <-37810-080926192732-4058-zZlk6rggq8dixYUQZRMiQg(_)server.ccl.net>
X-Original-From: "Elaine  Meng" <meng/./cgl.ucsf.edu>
Date: Fri, 26 Sep 2008 19:27:28 -0400


Sent to CCL by: "Elaine  Meng" [meng*o*cgl.ucsf.edu]
Hi Oscar,
Many programs calculate Connolly surfaces, but to name just a couple, you may want to take a look at:

UCSF Chimera (currently uses Sanner's MSMS for surface calculation) - free download for noncommercial use
http://www.cgl.ucsf.edu/chimera/index.html

DMS - open source, also downloadable from the UCSF Computer Graphics Lab
http://www.cgl.ucsf.edu/Overview/software.html#dms
http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/dms1.html

If you are referring not only to the surfaces but to the output file format, both Chimera and DMS can write out dot surfaces of that type.

Best,
Elaine
-----
Elaine C. Meng, Ph.D.                          meng-.-cgl.ucsf.edu
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                     http://www.cgl.ucsf.edu/home/meng/index.html

P.S. this page by Mike Connolly may be of interest:
http://www.netsci.org/Science/Compchem/feature14e.html