[gmx-users] the output of do_dssp

Hsin-Lin jiangsl at phys.sinica.edu.tw
Sat May 22 09:23:42 CEST 2010


Hi,

I use do_dssp to generate xvg file collect the last line to make a plot.
There are something written in this way:
------------------
@ s0 legend "Structure"
@ s1 legend "Coil"
@ s2 legend "Bend" 
    0    5    14   1
-------------------
My system is dimer and each peptide has 6 residue.
And the number I choose to analyze is "1. Protein".

Now I have a question, if I want to calculate the percentage of secondary
structure.
In the example above, is it calculated in this way 5/12=42%?

Hsin-Lin




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