Subject: Re:Exposed surface area routine

From: Alfredo Cardenas <[email-masked]>
Date: Mon, 12 May 2003 09:59:26 -0400 (EDT)

I want to thank the people that reply to my inquiry. Their suggestions are
quite helpful. Here are their responses.
 
Alfredo Cardenas
[email-masked]

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Date: Wed, 7 May 2003 15:08:55 -0500 (CDT)
From: Abhishek Jha <[email-masked]>
To: Alfredo Cardenas <[email-masked]>
Subject: Re: CCL:Exposed surface area routine
 
Try TINKER. It has a subroutine that does it.
 
-Abhishek

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Swiss PDB Viewer / Deep View does this:

http://us.expasy.org/spdbv/

Dr. N. Sukumar
http://www.drugmining.com/
Visiting Scientist
Rensselaer Department of Chemistry and
Wadsworth Center, New York State Dept.of Health
 
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Date: Wed, 7 May 2003 17:05:45 -0400 (EDT)
From: Avijit Ghosh <[email-masked]>
To: Alfredo Cardenas <[email-masked]>
Subject: Re: CCL:Exposed surface area routine
 
On Wed, 7 May 2003, Alfredo Cardenas wrote:

         Hey Alfredo, I seem to recall GEPOL93 did this reasonably well. 
 
http://server.ccl.net/cca/software/SOURCES/FORTRAN/molecular_surface/gepol93/ind
ex.shtml
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Date: Wed, 7 May 2003 17:37:15 -0400 (EDT)
From: Manoj Pal <[email-masked]>
To: Alfredo Cardenas <[email-masked]>
Subject: Re: CCL:Exposed surface area routine
 
Hi Alfredo,
 
You can use naccess.f available at http://wolf.bms.umist.ac.uk/naccess/
for your work.
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Date: Fri, 9 May 2003 14:20:00 +0200
From: Andrea Carotti <[email-masked]>
To: Alfredo Cardenas <[email-masked]>
Subject: Re: CCL:Exposed surface area routine

You can try this link: http://molvis.sdsc.edu/protexpl/frntdoor.htm
 
******************************************************
Look to the ASV freeware on the following site:
http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html#ASV
There are both the analytical calculation and the Monte-Carlo
computation. If you have hundreds of intersecting spheres, the
Monte-Carlo is faster (try, say, N=10^5 ou 10^6)

Michel Petitjean,                     Email: [email-masked]
ITODYS (CNRS, UMR 7086)                      [email-masked]
1 rue Guy de la Brosse                Phone: +33 (0)1 44 27 48 57
75005 Paris, France.                  FAX  : +33 (0)1 44 27 68 14
http://petitjeanmichel.free.fr/itoweb.petitjean.html