[Chimera-users] Query regarding solvent accessible surface area of protein

Aditya Padhi adi.uoh at gmail.com
Tue Nov 2 20:43:46 PDT 2010


Hi Elaine,
    As per your guidance, I am now able to calculate SASA for the
trajectories of AMBER MD simulation of my protein. But I have 1200 frames
and I need to calculate SASA for each and every frame. As u told, I can
calculate by fixing each frame. But it seems to be very time taking and not
favorable. Is there any way so that I can calculate SASA as an average among
all the frames or most favorable would be to get SASA for all 1200 frames
automatically rather going for individual ones.
    If you have any such script/relevant idea , kindly help me in this
regard.

Thanking you.
Aditya.
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