Backboner API
Backboner.Backbone
— TypeBackbone{T<:Real,M<:AbstractMatrix{T}} <: AbstractVector{AbstractVector{T}}
The Backbone
type is designed to efficiently store and manipulate the three-dimensional coordinates of backbone points.
Backboner.ChainedBonds
— TypeChainedBonds{T<:Real,V<:AbstractVector{T}}
A lazy way to store a backbone as a series of bond lengths, bond angles, and torsion_angles.
Examples
julia> backbone = Backbone(randn(Float32, 3, 660));
+API Reference · Backboner.jl Backboner API
Backboner.Backbone
— TypeBackbone{T<:Real,M<:AbstractMatrix{T}} <: AbstractVector{AbstractVector{T}}
The Backbone
type is designed to efficiently store and manipulate the three-dimensional coordinates of backbone points.
sourceBackboner.ChainedBonds
— TypeChainedBonds{T<:Real,V<:AbstractVector{T}}
A lazy way to store a backbone as a series of bond lengths, bond angles, and torsion_angles.
Examples
julia> backbone = Backbone(randn(Float32, 3, 660));
julia> bonds = ChainedBonds(backbone)
-ChainedBonds{Float64, Vector{Float64}} with 659 bond lengths, 658 bond angles, and 657 torsion angles
sourceBackboner.append_bonds
— Methodappend_bonds(backbone, bond_lengths, bond_angles, torsion_angles)
sourceBackboner.get_displacements
— Methodget_displacements(backbone, start, step, stride)
Get the displacements between points in backbone
, where start
is the index of the first point, step
is the offset of the other points along the backbone (e.g. 1
for bond vectors), and stride
is the number of points to skip after each step.
sourceBackboner.get_distances
— Methodget_distances(backbone, start, step, stride)
Get the Euclidean distances between points in backbone
, where start
is the index of the first point, step
is the offset of the other points along the backbone (e.g. 1
for bond lengths), and stride
is the number of points to skip after each step.
sourceBackboner.is_knotted
— Functionis_knotted(backbone::Backbone)
Check if a backbone is knotted.
sourceBackboner.prepend_bonds
— Methodprepend_bonds(backbone, bond_lengths, bond_angles, torsion_angles)
sourceSettings
This document was generated with Documenter.jl version 1.7.0 on Friday 13 September 2024. Using Julia version 1.10.5.
+ChainedBonds{Float64, Vector{Float64}} with 659 bond lengths, 658 bond angles, and 657 torsion angles
Backboner.append_bonds
— Methodappend_bonds(backbone, bond_lengths, bond_angles, torsion_angles)
Backboner.get_displacements
— Methodget_displacements(backbone, start, step, stride)
Get the displacements between points in backbone
, where start
is the index of the first point, step
is the offset of the other points along the backbone (e.g. 1
for bond vectors), and stride
is the number of points to skip after each step.
Backboner.get_distances
— Methodget_distances(backbone, start, step, stride)
Get the Euclidean distances between points in backbone
, where start
is the index of the first point, step
is the offset of the other points along the backbone (e.g. 1
for bond lengths), and stride
is the number of points to skip after each step.
Backboner.is_knotted
— Functionis_knotted(backbone::Backbone)
Check if a backbone is knotted.
Backboner.prepend_bonds
— Methodprepend_bonds(backbone, bond_lengths, bond_angles, torsion_angles)