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Update documentation - fix typo
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docs/.doctrees/environment.pickle

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docs/_sources/package/tutorial/index.rst.txt

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@@ -489,7 +489,7 @@ A spatial characterization, that includes volume, area and defining surface poin
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* `pyKVFinder.spatial <../api_reference/spatial.html>`_
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1. Performing constitutional characterization
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6. Performing constitutional characterization
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A constitutional characterization, that identifies the interface residues, is performed on the detected cavities.

docs/package/tutorial/index.html

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<li class="toctree-l4"><a class="reference internal" href="#detecting-biomolecular-cavities">4. Detecting biomolecular cavities</a></li>
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<li class="toctree-l4"><a class="reference internal" href="#detecting-biomolecular-cavities-with-ligand-adjustment">4.1 Detecting biomolecular cavities with ligand adjustment</a></li>
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<li class="toctree-l4"><a class="reference internal" href="#performing-spatial-characterization">5. Performing spatial characterization</a></li>
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<li class="toctree-l4"><a class="reference internal" href="#performing-constitutional-characterization">1. Performing constitutional characterization</a></li>
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<li class="toctree-l4"><a class="reference internal" href="#performing-constitutional-characterization">6. Performing constitutional characterization</a></li>
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<li class="toctree-l4"><a class="reference internal" href="#calculating-and-plotting-frequencies">6.1 Calculating and plotting frequencies</a></li>
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<li class="toctree-l4"><a class="reference internal" href="#performing-hydropathy-characterization">7. Performing hydropathy characterization</a></li>
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<li class="toctree-l4"><a class="reference internal" href="#performing-depth-characterization">8. Performing depth characterization</a></li>
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</div>
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</section>
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<section id="performing-constitutional-characterization">
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<h4>1. Performing constitutional characterization<a class="headerlink" href="#performing-constitutional-characterization" title="Link to this heading"></a></h4>
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<h4>6. Performing constitutional characterization<a class="headerlink" href="#performing-constitutional-characterization" title="Link to this heading"></a></h4>
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<p>A constitutional characterization, that identifies the interface residues, is performed on the detected cavities.</p>
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<p><code class="docutils literal notranslate"><span class="pre">pyKVFinder.constitutional</span></code> takes the detected cavities, the NumPy array with residue number, chain identifier, residue name, atom name, xyz coordinates and radius for each atom, the NumPy array with vertice coordinates (origin, X-axis, Y-axis, Z-axis) and a collection of detection parameters (<code class="docutils literal notranslate"><span class="pre">step</span></code>, <code class="docutils literal notranslate"><span class="pre">probe_in</span></code>, <code class="docutils literal notranslate"><span class="pre">ignore_backbone</span></code>), and returns a dictionary with interface residues of each cavity.</p>
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<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="gp">&gt;&gt;&gt; </span><span class="c1"># Default ignore backbone contacts flag (ignore_backbone): False</span>

docs/searchindex.js

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docs/source/package/tutorial/index.rst

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* `pyKVFinder.spatial <../api_reference/spatial.html>`_
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1. Performing constitutional characterization
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6. Performing constitutional characterization
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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A constitutional characterization, that identifies the interface residues, is performed on the detected cavities.

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