[gmx-users] SS from xpm file

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Mon Oct 24 18:20:52 CEST 2005



> On Mon, 2005-10-24 at 17:01 +0200, Nguyen Hoang Phuong wrote:
> > Dear All,
> >
> > after performing do_dssp, I got the file like ss.xpm which looks like
> >
> > "SSSSSSSSSSSS~~~S~~~~~SSSSSSSSSSSS~STSSSSSSSTTTTTSTST~~~~S~~~S~~",
> > "SSSSSSSSSSSSS~~SSSSSSSSSSSSSSSSSSSSTSSSSSSSTTTTTSTSTSSSSSSSSSSS",
> >
> > each line contains the information about secondary structures of one
> > residue. I would like to compute the percentages of the structures S, T
> > etc. for each residue. To this end I have to count how many letters S, T
> > of each line. Do you know how to performing this counting?
> >
> > Many thanks in advance,
> look in the xvg file that is produced as well.

but the xvg file contains the total structures of all residues, not
single residue.

Phuong




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