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MDAnalysis · Jul 7, 2024 · f0e86fc · f0e86fc
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diff --git a/.doctrees/environment.pickle b/.doctrees/environment.pickle
diff --git a/.doctrees/mdakits.doctree b/.doctrees/mdakits.doctree
diff --git a/.doctrees/spyrmsdkit.doctree b/.doctrees/spyrmsdkit.doctree
diff --git a/PathSimAnalysis.html b/PathSimAnalysis.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2 current"><a class="current reference internal" href="#">PathSimAnalysis</a><ul>

diff --git a/ProLIF.html b/ProLIF.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="PathSimAnalysis.html">PathSimAnalysis</a></li>

diff --git a/_sources/mdakits.rst.txt b/_sources/mdakits.rst.txt
@@ -21,6 +21,10 @@ Each of the MDAKits in the following table links to a page with more details abo
       - membranes, curvature, molecular dynamics
       - `membrane-curvature authors`_
       - |membrane-curvature_latest| |membrane-curvature_develop|
+    * - :ref:`spyrmsdkit`
+      - spyrmsd, RMSD, symmetry-corrected RMSD, drug discovery
+      - `spyrmsdkit authors`_
+      - |spyrmsdkit_latest| |spyrmsdkit_develop|
     * - :ref:`maicos`
       - Molecular Dynamics, Confined Systems
       - `maicos authors`_
@@ -88,6 +92,7 @@ Each of the MDAKits in the following table links to a page with more details abo
    :hidden:
 
    membrane-curvature
+   spyrmsdkit
    maicos
    mdaencore
    PathSimAnalysis
@@ -116,6 +121,17 @@ Each of the MDAKits in the following table links to a page with more details abo
    :alt: membrane-curvature develop CI status
    :target: https://github.com/MDAnalysis/MDAKits/actions
 
+.. _`spyrmsdkit authors`:
+   https://github.com/RMeli/spyrmsdkit/blob/main/AUTHORS.md
+
+.. |spyrmsdkit_latest| image:: https://img.shields.io/badge/latest-unavailable-inactive.svg
+   :alt: spyrmsdkit develop CI status
+   :target: https://github.com/MDAnalysis/MDAKits/actions
+
+.. |spyrmsdkit_develop| image:: https://img.shields.io/badge/develop-passed-green.svg
+   :alt: spyrmsdkit develop CI status
+   :target: https://github.com/MDAnalysis/MDAKits/actions
+
 .. _`maicos authors`:
    https://gitlab.com/maicos-devel/maicos/-/blob/main/AUTHORS.rst
 

diff --git a/_sources/spyrmsdkit.rst.txt b/_sources/spyrmsdkit.rst.txt
@@ -0,0 +1,43 @@
+.. _spyrmsdkit:
+
+************************************************
+spyrmsdkit
+************************************************
+
+| 🖋️ **Authors**: `spyrmsdkit authors`_
+| 🏠 **Project home:** https://github.com/RMeli/spyrmsdkit/
+| 📖 **Documentation:** https://spyrmsd.readthedocs.io
+| ⚖️ **License:** GPL-2.0-or-later
+| 🔑 **Keywords:** spyrmsd, RMSD, symmetry-corrected RMSD, drug discovery
+| 🚀 **Development status:** Production
+| 📜 **Changelog:** https://github.com/RMeli/spyrmsdkit/blob/main/CHANGELOG.md
+| 📑 **Publications:**
+|    * https://doi.org/10.1186/s13321-020-00455-2
+| 🧪 **Tests (latest):** |spyrmsdkit_latest| 
+| 🧪 **Tests (develop):** |spyrmsdkit_develop| 
+| **Description:**
+| *spyrmsdkit allows to compute symmetry-corrected RMSDs with spyrmsd on MD trajectories*
+
+
+
+Installation instructions
+=========================
+
+
+The source code of spyrmsdkit can be installed using the following:
+
+.. code-block:: bash
+
+    pip install git+https://github.com/RMeli/spyrmsdkit@main
+
+.. _`spyrmsdkit authors`:
+   https://github.com/RMeli/spyrmsdkit/blob/main/AUTHORS.md
+
+.. |spyrmsdkit_latest| image:: https://img.shields.io/badge/latest-unavailable-inactive.svg
+   :alt: spyrmsdkit develop CI status
+   :target: https://github.com/MDAnalysis/MDAKits/actions
+
+.. |spyrmsdkit_develop| image:: https://img.shields.io/badge/develop-passed-green.svg
+   :alt: spyrmsdkit develop CI status
+   :target: https://github.com/MDAnalysis/MDAKits/actions
+
diff --git a/lipyds.html b/lipyds.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="PathSimAnalysis.html">PathSimAnalysis</a></li>

diff --git a/maicos.html b/maicos.html
@@ -44,7 +44,7 @@
     <link rel="index" title="Index" href="genindex.html" />
     <link rel="search" title="Search" href="search.html" />
     <link rel="next" title="mdaencore" href="mdaencore.html" />
-    <link rel="prev" title="membrane-curvature" href="membrane-curvature.html" /> 
+    <link rel="prev" title="spyrmsdkit" href="spyrmsdkit.html" /> 
 </head>
 
 <body class="wy-body-for-nav"> 
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2 current"><a class="current reference internal" href="#">maicos</a><ul>
 <li class="toctree-l3"><a class="reference internal" href="#installation-instructions">Installation instructions</a></li>
 </ul>
@@ -175,7 +176,7 @@ <h2>Installation instructions<a class="headerlink" href="#installation-instructi
            </div>
           </div>
           <footer><div class="rst-footer-buttons" role="navigation" aria-label="Footer">
-        <a href="membrane-curvature.html" class="btn btn-neutral float-left" title="membrane-curvature" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
+        <a href="spyrmsdkit.html" class="btn btn-neutral float-left" title="spyrmsdkit" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
         <a href="mdaencore.html" class="btn btn-neutral float-right" title="mdaencore" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a>
     </div>
 

diff --git a/mda-tui.html b/mda-tui.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="PathSimAnalysis.html">PathSimAnalysis</a></li>

diff --git a/mdachecker.html b/mdachecker.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="PathSimAnalysis.html">PathSimAnalysis</a></li>

diff --git a/mdacli.html b/mdacli.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="PathSimAnalysis.html">PathSimAnalysis</a></li>

diff --git a/mdaencore.html b/mdaencore.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2 current"><a class="current reference internal" href="#">mdaencore</a><ul>
 <li class="toctree-l3"><a class="reference internal" href="#installation-instructions">Installation instructions</a></li>

diff --git a/mdahole2.html b/mdahole2.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="PathSimAnalysis.html">PathSimAnalysis</a></li>

diff --git a/mdakit-sasa.html b/mdakit-sasa.html
@@ -88,6 +88,7 @@
 <ul class="current">
 <li class="toctree-l1 current"><a class="reference internal" href="mdakits.html">Registry of MDAnalysis Toolkits (MDAKits)</a><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="membrane-curvature.html">membrane-curvature</a></li>
+<li class="toctree-l2"><a class="reference internal" href="spyrmsdkit.html">spyrmsdkit</a></li>
 <li class="toctree-l2"><a class="reference internal" href="maicos.html">maicos</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="PathSimAnalysis.html">PathSimAnalysis</a></li>