> has anybody an idea how to measure a volume of the cavity inside protein
> along MD trajectry?
>
Hi,
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..).
Regards,
Krzysztof
Received on Thu Feb 22 2001 - 02:45:36 PST
