Re: your mail

From: Krzysztof Murzyn <>
Date: Thu 22 Feb 2001 11:45:36 +0100 (MET)

> has anybody an idea how to measure a volume of the cavity inside protein
> along MD trajectry?

There's an excelent (and accurate) way to perform such calculations. The
analytic way to compute surface and volume of cavities in molecular
systems was published in Liang et al. Proteins, 1998, 33:1-17 (there're in
fact two articles, the first describes the method - alpha shapes, the
second shows an application..).


Received on Thu Feb 22 2001 - 02:45:36 PST
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