[gmx-users] question about gmx do_dssp

Mark Abraham mark.j.abraham at gmail.com
Fri Aug 4 16:32:38 CEST 2017


Isn't that figure what is in the xpm file?


On Fri, Aug 4, 2017 at 4:20 PM YanhuaOuyang <15901283893 at 163.com> wrote:

> Hi,
>    I have run a MD simulation and used gmx do_dssp to calculate the
> secondary structure content. The output files are md_dssp.xpm and
> scount.xvg. I want to know that each residue  belongs to what kind of
> secondary structure for each frame. But the scount.xvg output file only
> have the number of residues with each secondary structure and the total
> secondary structure count as a function of time. So,  can I get the
> information on "each residue belongs to which kind of secondary structure
> for each frame" to draw a figure of " amino acid vs secondary structure" ?
> Best regards,
> Ouyang
> --
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list