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Documenter.jl committed Jan 31, 2025
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2 changes: 1 addition & 1 deletion dev/.documenter-siteinfo.json
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{"documenter":{"julia_version":"1.10.8","generation_timestamp":"2025-01-31T12:38:48","documenter_version":"1.8.0"}}
{"documenter":{"julia_version":"1.10.8","generation_timestamp":"2025-01-31T12:42:54","documenter_version":"1.8.0"}}
2 changes: 1 addition & 1 deletion dev/Coaraci/index.html
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=============================================================
End Coaraci managed submissions: 2024-10-11 10:49:24
Total running time: 30 seconds, 762 milliseconds
=============================================================</code></pre></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../Reweighting/">« ∘ Simulation Reweighting</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.8.0 on <span class="colophon-date" title="Friday 31 January 2025 12:38">Friday 31 January 2025</span>. Using Julia version 1.10.8.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
=============================================================</code></pre></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../Reweighting/">« ∘ Simulation Reweighting</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.8.0 on <span class="colophon-date" title="Friday 31 January 2025 12:42">Friday 31 January 2025</span>. Using Julia version 1.10.8.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
14 changes: 7 additions & 7 deletions dev/Developer/index.html
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6 changes: 3 additions & 3 deletions dev/Dihedrals/index.html
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2-element Vector{Float64}:
-60.12860673875001
-0.3398274578758668
</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/m3g/MolSimToolkit.jl/blob/d95eb377e1f96b617866ee4700812ec725bbe16f/src/miscelaneous_functions/dihedrals.jl#L159-L197">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MolSimToolkit.dihedral-Union{Tuple{T}, NTuple{4, T}} where T&lt;:(AbstractVector)" href="#MolSimToolkit.dihedral-Union{Tuple{T}, NTuple{4, T}} where T&lt;:(AbstractVector)"><code>MolSimToolkit.dihedral</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">dihedral(v1, v2, v3, v4; degrees=true)
dihedral(v::AbstractVector; degrees=true)</code></pre><p>Computes the dihedral angle between the planes formed by the vectors <code>v1-v2</code> and <code>v2-v3</code>, and <code>v2-v3</code> and <code>v3-v4</code>. The input vectors must have 3 elements. The function returns the dihedral angle in radians or degrees. If the input is a vector with 4 vectors, the function computes the dihedral angle between the planes formed by the vectors <code>v[1]-v[2]</code> and <code>v[2]-v[3]</code>, and <code>v[2]-v[3]</code> and <code>v[3]-v[4]</code>.</p><p>The optional argument <code>degrees</code> specifies whether the output is in degrees (default) or radians.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/m3g/MolSimToolkit.jl/blob/d95eb377e1f96b617866ee4700812ec725bbe16f/src/miscelaneous_functions/dihedrals.jl#L1-L12">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MolSimToolkit.dihedrals-Tuple{AbstractVector{&lt;:AbstractVector}}" href="#MolSimToolkit.dihedrals-Tuple{AbstractVector{&lt;:AbstractVector}}"><code>MolSimToolkit.dihedrals</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">dihedrals(v::AbstractVector{&lt;:AbstractVector}; degrees=true)</code></pre><p>Computes the dihedral angles for many sets of 4 vectors. The input is a vector of vectors, where each element is a vector with 4 vectors. The function returns a vector with the dihedral angles in radians or degrees.</p><p><strong>Example</strong></p><pre><code class="language-julia-repl hljs">julia&gt; using MolSimToolkit, MolSimToolkit.Testing, PDBTools
</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/m3g/MolSimToolkit.jl/blob/7f2ceb4daf7134f0bf74a98710598369229abe3f/src/miscelaneous_functions/dihedrals.jl#L159-L197">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MolSimToolkit.dihedral-Union{Tuple{T}, NTuple{4, T}} where T&lt;:(AbstractVector)" href="#MolSimToolkit.dihedral-Union{Tuple{T}, NTuple{4, T}} where T&lt;:(AbstractVector)"><code>MolSimToolkit.dihedral</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">dihedral(v1, v2, v3, v4; degrees=true)
dihedral(v::AbstractVector; degrees=true)</code></pre><p>Computes the dihedral angle between the planes formed by the vectors <code>v1-v2</code> and <code>v2-v3</code>, and <code>v2-v3</code> and <code>v3-v4</code>. The input vectors must have 3 elements. The function returns the dihedral angle in radians or degrees. If the input is a vector with 4 vectors, the function computes the dihedral angle between the planes formed by the vectors <code>v[1]-v[2]</code> and <code>v[2]-v[3]</code>, and <code>v[2]-v[3]</code> and <code>v[3]-v[4]</code>.</p><p>The optional argument <code>degrees</code> specifies whether the output is in degrees (default) or radians.</p></div><a class="docs-sourcelink" target="_blank" href="https://github.com/m3g/MolSimToolkit.jl/blob/7f2ceb4daf7134f0bf74a98710598369229abe3f/src/miscelaneous_functions/dihedrals.jl#L1-L12">source</a></section></article><article class="docstring"><header><a class="docstring-article-toggle-button fa-solid fa-chevron-down" href="javascript:;" title="Collapse docstring"></a><a class="docstring-binding" id="MolSimToolkit.dihedrals-Tuple{AbstractVector{&lt;:AbstractVector}}" href="#MolSimToolkit.dihedrals-Tuple{AbstractVector{&lt;:AbstractVector}}"><code>MolSimToolkit.dihedrals</code></a> — <span class="docstring-category">Method</span><span class="is-flex-grow-1 docstring-article-toggle-button" title="Collapse docstring"></span></header><section><div><pre><code class="language-julia hljs">dihedrals(v::AbstractVector{&lt;:AbstractVector}; degrees=true)</code></pre><p>Computes the dihedral angles for many sets of 4 vectors. The input is a vector of vectors, where each element is a vector with 4 vectors. The function returns a vector with the dihedral angles in radians or degrees.</p><p><strong>Example</strong></p><pre><code class="language-julia-repl hljs">julia&gt; using MolSimToolkit, MolSimToolkit.Testing, PDBTools

julia&gt; atoms = read_pdb(Testing.namd2_pdb);

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julia&gt; ds = dihedrals([ coor(cAs), coor(r1b) ])
2-element Vector{Float32}:
164.4348
-115.82544</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/m3g/MolSimToolkit.jl/blob/d95eb377e1f96b617866ee4700812ec725bbe16f/src/miscelaneous_functions/dihedrals.jl#L83-L106">source</a></section></article></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../Experimental/">« Experimental</a><a class="docs-footer-nextpage" href="../Reweighting/">∘ Simulation Reweighting »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.8.0 on <span class="colophon-date" title="Friday 31 January 2025 12:38">Friday 31 January 2025</span>. Using Julia version 1.10.8.</p></section><footer class="modal-card-foot"></footer></div></div></div></body><div data-docstringscollapsed="true"></div></html>
-115.82544</code></pre></div><a class="docs-sourcelink" target="_blank" href="https://github.com/m3g/MolSimToolkit.jl/blob/7f2ceb4daf7134f0bf74a98710598369229abe3f/src/miscelaneous_functions/dihedrals.jl#L83-L106">source</a></section></article></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../Experimental/">« Experimental</a><a class="docs-footer-nextpage" href="../Reweighting/">∘ Simulation Reweighting »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.8.0 on <span class="colophon-date" title="Friday 31 January 2025 12:42">Friday 31 January 2025</span>. Using Julia version 1.10.8.</p></section><footer class="modal-card-foot"></footer></div></div></div></body><div data-docstringscollapsed="true"></div></html>
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