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anton083 committed Oct 26, 2023
1 parent 3c13a85 commit 7058314
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7 changes: 2 additions & 5 deletions src/dssp.jl
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dssp(coords_chains::Vararg{AbstractArray{T, 3}, N})
Takes a variable number of chains, each of which is a 3D array of shape `(residue_count, 4, 3)`.
Returns a vector of vector of integers denoting the secondary structure of each residue in each chain:
- `1` for loops
- `2` for helices
- `3` for strands
Use the `sscodes` function to convert the integers to characters.
Returns a Vector{Vector{SSClass}}, where the outer vector is the number of chains,
and the inner vector is the secondary structure class of each residue.
"""
function dssp(coords_chains::Vararg{AbstractArray{T, 3}, N}) where {T, N}
chain_lengths = size.(coords_chains, 1)
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