On Thu, Jul 29, 2010, Asfa Ali wrote:
>
> Can you provide me with a sample script which has been used for sasa
> calculation?
You asked about calculating SASA within Amber, and that requires a bit of a
learning curve. Take a look at the scripts in $AMBERHOME/AmberTools/test/nab,
and adapt one of them for your needs. (I think in version 1.3 of AmberTools,
this was located at $AMBERHOME/test/nab.)
There are plenty of non-Amber programs that compute this. Perhaps the most
widely used is Michel Sanner's MSMS program, which is incorporated into other
packages as well.
....dac
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Received on Thu Jul 29 2010 - 05:00:03 PDT
