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Update dssp.jl
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AntonOresten authored Nov 4, 2023
1 parent ed3c763 commit a064ab8
Showing 1 changed file with 1 addition and 6 deletions.
7 changes: 1 addition & 6 deletions src/dssp.jl
Original file line number Diff line number Diff line change
Expand Up @@ -30,7 +30,6 @@ function _get_hbond_map(
coord::AbstractArray{T, 3};
cutoff::Float64 = DEFAULT_CUTOFF,
margin::Float64 = DEFAULT_MARGIN,
return_e::Bool = false,
) where T <: Real
residue_count, atoms_per_residue, _ = size(coord)
@assert atoms_per_residue == 4
Expand All @@ -54,10 +53,6 @@ function _get_hbond_map(

e = _pad(0.0, arr, (1,0), (0,1))

if return_e
return e
end

local_mask = trues(residue_count, residue_count)
for i in 1:residue_count
local_mask[i, i] = false
Expand Down Expand Up @@ -143,4 +138,4 @@ function dssp(coords_chains::Vector{<:AbstractArray{T, 3}}) where T
num_vectors_by_chain = [num_vector[get(cum_indices, n-1, 0)+1:cum_indices[n]] for n in 1:length(lengths)]

return num_vectors_by_chain
end
end

2 comments on commit a064ab8

@AntonOresten
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Registration pull request created: JuliaRegistries/General/94760

After the above pull request is merged, it is recommended that a tag is created on this repository for the registered package version.

This will be done automatically if the Julia TagBot GitHub Action is installed, or can be done manually through the github interface, or via:

git tag -a v0.1.0 -m "<description of version>" a064ab869258f3590d85534a34226a982f846c34
git push origin v0.1.0

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