[Chimera-users] Calc buried surface area between 2 chains
Tom Duncan
duncant at upstate.edu
Fri Jan 30 14:49:28 PST 2009
I saw an earlier post (Dec. 29, 2008; Digest vol. 68, issue 28) in
which Elaine Meng described a procedure for calculating surface area
for selected atoms. I did this for atoms on chain A that were selected
as contacting atoms on neighboring chain B, but the sum(atom.areaSES)
probably includes area buried within the chain A, not just between the
2 chains.
I tried checking this by calculating the sum(atom.areaSES) for chain A
(all atoms in A) in the whole model, then again for a model from which
chain B was deleted before calculating the surface. However, the
results indicated a larger areaSES for chain A in the absence of chain
B!
There were some errors reported in calculating the surfaces; perhaps
this contributed.
Is there a better way to calculate the buried surface on 1 chain due
to contacts with a 2nd chain?
Thanks,
Tom Duncan
More information about the Chimera-users
mailing list