Abstract This work describes a fast implementation of software algorithm associated with determination of protein secondary structure based on the DSSP algorithm. This implementation is fully compatible with the DSSP v.4 algorithm and implemented as native Gromacs trajectory analysis module which allows to analyze molecular dynamics trajectories without any restrictions of the original DSSP implementation. Also this implementation works much faster then original DSSP v.4 algorithm.

DSSP in Gromacs: tool for defining secondary structures of proteins in trajectories