[gmx-users] do_dssp

Justin Lemkul jalemkul at vt.edu
Tue Jan 15 12:03:18 CET 2013

On 1/15/13 3:19 AM, James Starlight wrote:
> Dear Gromacs Users!
> I'd like to know if it's possible to obtain some values from do_dssp
> except the graph diagrams of the ss dynamics ? For example I wounder
> to know values of how many residues were in helix, sheet or coil
> conformation during my simulation ?

That's what scount.xvg contains.

> By the way during analysis of the graph obtained from do_dssp produced by
> do_dssp -s minim -f md_noPBC.xtc -o ./results/dssp
> I didnt found legend on the x and y (time,  number of residue) as well
> as color scheme of particular ss element. How I can add it to that
> graph ?

I don't understand what you're asking here.



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


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