[gmx-users] Cavity detection on membrane protein surface

Alex Jemulin alexbioinfo at yahoo.com
Tue Nov 22 14:33:59 CET 2011

Dear all,
I'm studying a membrane protein. During MD some concavities appear and disappear on its surface.
I'd like to isolate atoms and residues involved in these formations.
Any suggestion? Which steps should I follow to automate the identification process?
Thanks in adavance
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