VMD-L Mailing List

From: alexandra.marques_at_fc.up.pt
Date: Mon Jan 08 2007 - 19:01:04 CST

Hi

I am using a script (_sasa_res.tcl) that I found in the mailing list archives to
calculate the sasa by residue. However the values obtained are much higher than
expected and buried residues do not have zero values. For instance, I compared
the values obtained for a pdb file with those reported by the PQS or EBI PISA
servers and they are very different.
I am sending the script in attachment. Could someone please take a look to it
and/or suggest me another way to calculate sasa by residue? What is the method
used by vmd to calculate SASA?

Thanks in advance
Alexandra

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