Subject: Cavities within proteins

From: [email-masked] (Eldbjoerg S. Heimstad)
Date: Tue, 31 Oct 95 11:31:47 +0100

Does anyone of you have a way to calculate cavities within
proteins ?

All replies will be appreciated -

Regards,

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# Eldbjoerg Sofie Heimstad                            #
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From: Leif Laaksonen <[email-masked]>
Date: Tue, 31 Oct 1995 13:38:41 +0200 (EET)

Hi,

You should be able to calculate them in much the same way as we did it
for cavities in polyisobutylene (PIB):

http://www.csc.fi/lul/chem/movies/pib/pib_movies.html

Regards,

-leif laaksonen

On Tue, 31 Oct 1995, Eldbjoerg S. Heimstad wrote:

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From: Scott Weston <[email-masked]>
Date: Tue, 31 Oct 1995 11:14:00 -0600 (CST)

Eldbjoerg,

Depending on what your exact needs are, one good approach to the 
isolation and visualization of protein cavities is the one encoded
in the CAVITY SEARCH program by Chris Ho and Garland Marshall at 
the Center for Molecular Design (J Comput Aided Mol Des (JCB), 1990 
Dec; 4 (4): 337-54.  More information is available at their Web site
at http://wucmd.wustl.edu.

Good luck,

Scott

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