From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Thu Apr 09 2015 - 16:17:18 CDT

Dear list,

I wonder why the command measure sasa does not give consistent results
which should be independent whether the protein is rotated.

For example, I loaded protein with PDB code 1AUQ.

Then, I calculated the SASA of the entire system:

measure sasa 1.4 [atomselect top all]
10260.4560546875

I rotated the system by 30 degrees around the y-axis:

[atomselect top all] move [trans y 30]

And calculated the SASA again:

measure sasa 1.4 [atomselect top all]
10272.072265625

After rotating the system, the SASA was 11.6 A larger. Any idea why the
result is not consistent?

Thanks,

      Gianluca

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Gianluca Interlandi, PhD gianluca_at_u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

Research Assistant Professor at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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