[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

> 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
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list