[gmx-users] Re: Hai friends (balu)
jkrieger at mrc-lmb.cam.ac.uk
jkrieger at mrc-lmb.cam.ac.uk
Fri Aug 16 19:37:09 CEST 2013
I suppose there would also be a way of passing do_dssp output on to
make_ndx then you could use the index with g_hbond to count hbonds in each
secondary structure element.
Best wishes
James
> If the goal is to simply count the secondary structure, pass the dssp
> output file through grep "__" dssp_output.xpm | wc
>
> Fill in the dssp code for each secondary structure in the underline
> separately. Grep would extract all characters that fit that pattern and wc
> would count it.
>
> Hope that helps.
> Ali
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