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| .. _mdaencore: | ||
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| ************************ | ||
| mdaencore | ||
| ************************ | ||
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| | 🖋️ **Authors**: `mdaencore authors`_ | ||
| | 🏠 **Project home:** https://github.com/MDAnalysis/mdaencore/ | ||
| | 📖 **Documentation:** https://www.mdanalysis.org/mdaencore/ | ||
| | ⚖️ **License:** GPL-2.0-or-later | ||
| | 🔑 **Keywords:** ensemble, similarity, covariance, PCA | ||
| | 🚀 **Development status:** Mature | ||
| | 📜 **Changelog:** https://github.com/MDAnalysis/mdaencore/blob/main/CHANGELOG.md | ||
| | 📑 **Publications:** | ||
| | * https://doi.org/10.1371/journal.pcbi.1004415 | ||
| | 🧪 **Tests (latest):** |mdaencore_latest| | ||
| | 🧪 **Tests (develop):** |mdaencore_develop| | ||
| | **Description:** | ||
| | *Quantitative ensemble similarity analysis for molecular data* | ||
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| Installation instructions | ||
| ========================= | ||
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| The latest version of mdaencore can be installed using the following: | ||
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| .. code-block:: bash | ||
| pip install mdaencore | ||
| The source code of mdaencore can be installed using the following: | ||
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| .. code-block:: bash | ||
| pip install git+https://github.com/MDAnalysis/mdaencore.git | ||
| .. _`mdaencore authors`: | ||
| https://github.com/MDAnalysis/mdaencore/blob/main/AUTHORS.md | ||
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| .. |mdaencore_latest| image:: https://img.shields.io/badge/latest-passed-green.svg | ||
| :alt: mdaencore develop CI status | ||
| :target: https://github.com/MDAnalysis/MDAKits/actions | ||
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| .. |mdaencore_develop| image:: https://img.shields.io/badge/develop-passed-green.svg | ||
| :alt: mdaencore develop CI status | ||
| :target: https://github.com/MDAnalysis/MDAKits/actions | ||
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|
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| <section id="mdaencore"> | ||
| <span id="id1"></span><h1>mdaencore<a class="headerlink" href="#mdaencore" title="Permalink to this heading"></a></h1> | ||
| <div class="line-block"> | ||
| <div class="line">🖋️ <strong>Authors</strong>: <a class="reference external" href="https://github.com/MDAnalysis/mdaencore/blob/main/AUTHORS.md">mdaencore authors</a></div> | ||
| <div class="line">🏠 <strong>Project home:</strong> <a class="reference external" href="https://github.com/MDAnalysis/mdaencore/">https://github.com/MDAnalysis/mdaencore/</a></div> | ||
| <div class="line">📖 <strong>Documentation:</strong> <a class="reference external" href="https://www.mdanalysis.org/mdaencore/">https://www.mdanalysis.org/mdaencore/</a></div> | ||
| <div class="line">⚖️ <strong>License:</strong> GPL-2.0-or-later</div> | ||
| <div class="line">🔑 <strong>Keywords:</strong> ensemble, similarity, covariance, PCA</div> | ||
| <div class="line">🚀 <strong>Development status:</strong> Mature</div> | ||
| <div class="line">📜 <strong>Changelog:</strong> <a class="reference external" href="https://github.com/MDAnalysis/mdaencore/blob/main/CHANGELOG.md">https://github.com/MDAnalysis/mdaencore/blob/main/CHANGELOG.md</a></div> | ||
| <div class="line">📑 <strong>Publications:</strong></div> | ||
| <div class="line-block"> | ||
| <div class="line">* <a class="reference external" href="https://doi.org/10.1371/journal.pcbi.1004415">https://doi.org/10.1371/journal.pcbi.1004415</a></div> | ||
| </div> | ||
| <div class="line">🧪 <strong>Tests (latest):</strong> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="mdaencore develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a></div> | ||
| <div class="line">🧪 <strong>Tests (develop):</strong> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="mdaencore develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></div> | ||
| <div class="line"><strong>Description:</strong></div> | ||
| <div class="line"><em>Quantitative ensemble similarity analysis for molecular data</em></div> | ||
| </div> | ||
| <section id="installation-instructions"> | ||
| <h2>Installation instructions<a class="headerlink" href="#installation-instructions" title="Permalink to this heading"></a></h2> | ||
| <p>The latest version of mdaencore can be installed using the following:</p> | ||
| <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>pip<span class="w"> </span>install<span class="w"> </span>mdaencore | ||
| </pre></div> | ||
| </div> | ||
| <p>The source code of mdaencore can be installed using the following:</p> | ||
| <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>pip<span class="w"> </span>install<span class="w"> </span>git+https://github.com/MDAnalysis/mdaencore.git | ||
| </pre></div> | ||
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