[gmx-users] DSSP output

[Justin Lemkul]

On 11/7/13 8:24 AM, Anirban wrote:
> Hi ALL,
>
> Is there any way to get the percentage of each secondary structural content
> of a protein using do_dssp if I supply a single PDB to it?

The output of scount.xvg has the percentages, but it's also trivial to do it for 
one snapshot.  The contents of scount.xvg are the number of residues present in 
each type of secondary structure, and you know the total number of residues...

> And how to plot the data of the -sc output from do_dssp?

Like any multiple data set.  xmgrace -nxy

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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