bio-pnpi/gmx-dssp

Standalone version of DSSP algorithm implementation in Gromacs

Intallation:

Requrements:

• CMAKE version ≥ 3.16.3
• Gromacs version ≥ 2023.1

Installation guide:

mkdir build-gmx-dssp
cd build-gmx-dssp/
cmake <standalone gmx-dssp directory>
make

How to use:

Run the built "bin/dssp" binary file in the same way as gmx dssp.

Additional info:

https://manual.gromacs.org/current/onlinehelp/gmx-dssp.html.