VMD-L Mailing List

From: latha (latha.9999_at_gmail.com)
Date: Wed Jul 28 2010 - 12:46:23 CDT

Hi,

Is there anyway I can calculate the molecular surface area of protein
binding pocket.

Previously I have used a script the following script to calculate SASA for
binding site atoms.

measure sasa 1.4 $allatoms -restrict $bindingsite_atoms

Any help in this regard is appreciated.

Thanks and regards,
Latha,
Graudate student,
University of Houston.