[gmx-users] DSSP and g_sas

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 15 12:55:11 CEST 2010

Bhanu Prakash Sandaka wrote:
> Using DSSP we can also calcuate the surface area, though it doesn't allow
> changes in probe diameter etc. it does calculate the surface area. I just
> wish to know whether the performance of DSSP is comparable to g_sas?
> Should it be used?

 From do_dssp -h:

"Note that the program g_sas can also compute SAS and that is more efficient."

Otherwise, compare the results, see if one method is better, and read the 
literature pertaining to SASA calculations to see which method you believe.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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