Secondary structure analysis with DSSP for MDAnalysis

Egor Marin

🔗 MDAnalysis PR #4304

A fun project emerged during MDAnalysis 2023 UGM hackathon. Basically, it adds a built-in secondary structure analysis, with no dependencies. The algorithm is based on Kabsch et al, and implementation is borrowed from pyDSSP. I slightly modified the implementation, making it depend only on numpy (previously it depended on einops package).

For details, see documentation.