Dssp in 2023 version generating only .dat file which I cant plot or use

User discussions
1

Hi

I am trying to use “gmx dssp” for my calculation. But in version 2023 it is generating only .dat files and no other file is generating. I tried to plot this .dat file in xmgrace but I cant plot it. I dont how to use this .dat file.

Please give me some directions.

GROMACS version:
GROMACS modification: Yes/No
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2

Hi, manually renaming the file to a .txt file usually works for me, does it work for the files from gmx dssp?

3

Thank you for the reply Karis. The generated .dat file is literally a text file. But how to plot that file for publication. I tried to plot with sigma plot but its not generating anything.

I dont understand why they downgrade the dssp functionality in 2023 version.

4

Dear shahbaaz
I solved this problem using Excel software and manually coloring the ss element, followed by using Adobe Photoshop.

5

You can use an older version of GROMACS maybe, that still has this function.

6

could you elaborate the process?

7

There is a dicsusion on gitlab about that. GMX DSSP Can't make dssp plot: Feature Request (#5089) · Issues · GROMACS / GROMACS · GitLab