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anton083 committed Oct 26, 2023
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[![Build Status](https://github.com/MurrellGroup/AssigningSecondaryStructure.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/MurrellGroup/AssigningSecondaryStructure.jl/actions/workflows/CI.yml?query=branch%3Amain)
[![Coverage](https://codecov.io/gh/MurrellGroup/AssigningSecondaryStructure.jl/branch/main/graph/badge.svg)](https://codecov.io/gh/MurrellGroup/AssigningSecondaryStructure.jl)

This package provides a quick way to assign secondary structure using the [DSSP](https://swift.cmbi.umcn.nl/gv/dssp/) algorithm. The package was ported from the [PyDSSP](https://github.com/ShintaroMinami/PyDSSP) package.
This package provides a quick way to assign secondary structure using the [DSSP](https://swift.cmbi.umcn.nl/gv/dssp/) algorithm. The code was ported from the [PyDSSP](https://github.com/ShintaroMinami/PyDSSP) package.

This is not a complete implementation of DSSP, as it only assigns '-' for loops, 'H' for alpha helices, and 'E' for beta strands. In spite of that, it matches the original DSSP to a large extent, with the added advantage of being more than 10x faster. For the full DSSP algorithm, check out [BioStructures.jl](https://github.com/BioJulia/BioStructures.jl) or [ProteinSecondaryStructures.jl](https://github.com/m3g/ProteinSecondaryStructures.jl), which both use the [DSSP_jll.jl](https://docs.juliahub.com/General/DSSP_jll/stable/) package that auto-generated using [BinaryBuilder.jl](https://github.com/JuliaPackaging/BinaryBuilder.jl).
This is not a complete implementation of DSSP, as it only assigns '-' for loops, 'H' for alpha helices, and 'E' for beta strands. In spite of that, it matches the original DSSP to a large extent, with the added advantage of being more than 10x faster. For the full DSSP algorithm, check out [BioStructures.jl](https://github.com/BioJulia/BioStructures.jl) or [ProteinSecondaryStructures.jl](https://github.com/m3g/ProteinSecondaryStructures.jl), which both use the [DSSP_jll.jl](https://docs.juliahub.com/General/DSSP_jll/stable/) package that was auto-generated using [BinaryBuilder.jl](https://github.com/JuliaPackaging/BinaryBuilder.jl).

```julia
julia> ss_nums = dssp("test/data/1ASS.pdb") # 1 chain, returns numeric codes
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