deploy: 1b20074

ProLIF.html

@@ -86,6 +86,7 @@
 <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="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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="mda-tui.html">mda-tui</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdachecker.html">mdachecker</a></li>

_sources/mdakits.rst.txt

@@ -25,6 +25,10 @@ Each of the MDAKits in the following table links to a page with more details abo
       - pKa, protein
       - `propkatraj authors`_
       - |propkatraj_latest| |propkatraj_develop|
+    * - :ref:`transport-analysis`
+      - transport properties, molecular dynamics
+      - `transport-analysis authors`_
+      - |transport-analysis_latest| |transport-analysis_develop|
     * - :ref:`maicos`
       - Molecular Dynamics, Confined Systems
       - `maicos authors`_
@@ -69,6 +73,7 @@ Each of the MDAKits in the following table links to a page with more details abo
 
    mdaencore
    propkatraj
+   transport-analysis
    maicos
    mda-tui
    mdachecker
@@ -102,6 +107,17 @@ Each of the MDAKits in the following table links to a page with more details abo
    :alt: propkatraj develop CI status
    :target: https://github.com/MDAnalysis/MDAKits/actions
 
+.. _`transport-analysis authors`:
+   https://github.com/MDAnalysis/transport-analysis/blob/main/AUTHORS.md
+
+.. |transport-analysis_latest| image:: https://img.shields.io/badge/latest-passed-green.svg
+   :alt: transport-analysis develop CI status
+   :target: https://github.com/MDAnalysis/MDAKits/actions
+
+.. |transport-analysis_develop| image:: https://img.shields.io/badge/develop-passed-green.svg
+   :alt: transport-analysis develop CI status
+   :target: https://github.com/MDAnalysis/MDAKits/actions
+
 .. _`maicos authors`:
    https://gitlab.com/maicos-devel/maicos/-/blob/main/AUTHORS.rst
 

_sources/transport-analysis.rst.txt

@@ -0,0 +1,46 @@
+.. _transport-analysis:
+
+************************************************
+transport-analysis
+************************************************
+
+| 🖋️ **Authors**: `transport-analysis authors`_
+| 🏠 **Project home:** https://github.com/MDAnalysis/transport-analysis
+| 📖 **Documentation:** https://transport-analysis.readthedocs.io
+| ⚖️ **License:** GPL-2.0
+| 🔑 **Keywords:** transport properties, molecular dynamics
+| 🚀 **Development status:** Alpha
+| 📜 **Changelog:** https://github.com/MDAnalysis/transport-analysis/blob/main/CHANGELOG.md
+| 🧪 **Tests (latest):** |transport-analysis_latest| 
+| 🧪 **Tests (develop):** |transport-analysis_develop| 
+| **Description:**
+| *A Python package to compute and analyze transport properties from molecular simulations.*
+
+
+
+Installation instructions
+=========================
+
+The latest version of transport-analysis can be installed using the following:
+
+.. code-block:: bash
+
+    pip install transport-analysis
+
+The source code of transport-analysis can be installed using the following:
+
+.. code-block:: bash
+
+    pip install git+https://github.com/MDAnalysis/transport-analysis@main
+
+.. _`transport-analysis authors`:
+   https://github.com/MDAnalysis/transport-analysis/blob/main/AUTHORS.md
+
+.. |transport-analysis_latest| image:: https://img.shields.io/badge/latest-passed-green.svg
+   :alt: transport-analysis develop CI status
+   :target: https://github.com/MDAnalysis/MDAKits/actions
+
+.. |transport-analysis_develop| image:: https://img.shields.io/badge/develop-passed-green.svg
+   :alt: transport-analysis develop CI status
+   :target: https://github.com/MDAnalysis/MDAKits/actions
+

hole2-mdakit.html

@@ -86,6 +86,7 @@
 <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="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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="mda-tui.html">mda-tui</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdachecker.html">mdachecker</a></li>

lipyds.html

@@ -86,6 +86,7 @@
 <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="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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="mda-tui.html">mda-tui</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdachecker.html">mdachecker</a></li>

maicos.html

@@ -41,7 +41,7 @@
     <link rel="index" title="Index" href="genindex.html" />
     <link rel="search" title="Search" href="search.html" />
     <link rel="next" title="mda-tui" href="mda-tui.html" />
-    <link rel="prev" title="propkatraj" href="propkatraj.html" /> 
+    <link rel="prev" title="transport-analysis" href="transport-analysis.html" /> 
 </head>
 
 <body class="wy-body-for-nav"> 
@@ -86,6 +86,7 @@
 <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="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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>
@@ -162,7 +163,7 @@ <h2>Installation instructions<a class="headerlink" href="#installation-instructi
            </div>
           </div>
           <footer><div class="rst-footer-buttons" role="navigation" aria-label="Footer">
-        <a href="propkatraj.html" class="btn btn-neutral float-left" title="propkatraj" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
+        <a href="transport-analysis.html" class="btn btn-neutral float-left" title="transport-analysis" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
         <a href="mda-tui.html" class="btn btn-neutral float-right" title="mda-tui" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a>
     </div>
 

mda-tui.html

@@ -86,6 +86,7 @@
 <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="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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="#">mda-tui</a><ul>
 <li class="toctree-l3"><a class="reference internal" href="#installation-instructions">Installation instructions</a></li>

mdachecker.html

@@ -86,6 +86,7 @@
 <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="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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="mda-tui.html">mda-tui</a></li>
 <li class="toctree-l2 current"><a class="current reference internal" href="#">mdachecker</a><ul>

mdacli.html

@@ -86,6 +86,7 @@
 <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="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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="mda-tui.html">mda-tui</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdachecker.html">mdachecker</a></li>

mdaencore.html

@@ -89,6 +89,7 @@
 </ul>
 </li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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="mda-tui.html">mda-tui</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdachecker.html">mdachecker</a></li>

mdakits.html

@@ -86,6 +86,7 @@
 <li class="toctree-l1 current"><a class="current reference internal" href="#">Registry of MDAnalysis Toolkits (MDAKits)</a><ul>
 <li class="toctree-l2"><a class="reference internal" href="mdaencore.html">mdaencore</a></li>
 <li class="toctree-l2"><a class="reference internal" href="propkatraj.html">propkatraj</a></li>
+<li class="toctree-l2"><a class="reference internal" href="transport-analysis.html">transport-analysis</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="mda-tui.html">mda-tui</a></li>
 <li class="toctree-l2"><a class="reference internal" href="mdachecker.html">mdachecker</a></li>
@@ -164,47 +165,52 @@ <h1>Registry of MDAnalysis Toolkits (MDAKits)<a class="headerlink" href="#regist
 <td><p><a class="reference external" href="https://github.com/Becksteinlab/propkatraj/blob/main/AUTHORS">propkatraj authors</a></p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="propkatraj develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="propkatraj develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="maicos.html#maicos"><span class="std std-ref">maicos</span></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="transport-analysis.html#transport-analysis"><span class="std std-ref">transport-analysis</span></a></p></td>
+<td><p>transport properties, molecular dynamics</p></td>
+<td><p><a class="reference external" href="https://github.com/MDAnalysis/transport-analysis/blob/main/AUTHORS.md">transport-analysis authors</a></p></td>
+<td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="transport-analysis develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="transport-analysis develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="maicos.html#maicos"><span class="std std-ref">maicos</span></a></p></td>
 <td><p>Molecular Dynamics, Confined Systems</p></td>
 <td><p><a class="reference external" href="https://gitlab.com/maicos-devel/maicos/-/blob/main/AUTHORS.rst">maicos authors</a></p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="maicos develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="maicos develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="mda-tui.html#mda-tui"><span class="std std-ref">mda-tui</span></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="mda-tui.html#mda-tui"><span class="std std-ref">mda-tui</span></a></p></td>
 <td><p>transformations, TUI</p></td>
 <td><p><a class="reference external" href="https://github.com/p-j-smith/mda-tui/blob/main/AUTHORS.md">mda-tui authors</a></p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="mda-tui develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="mda-tui develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="mdachecker.html#mdachecker"><span class="std std-ref">mdachecker</span></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="mdachecker.html#mdachecker"><span class="std std-ref">mdachecker</span></a></p></td>
 <td><p>structure analysis, conformation checks</p></td>
 <td><p>IAlibay</p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="mdachecker develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="mdachecker develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="solvation-analysis.html#solvation-analysis"><span class="std std-ref">solvation-analysis</span></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="solvation-analysis.html#solvation-analysis"><span class="std std-ref">solvation-analysis</span></a></p></td>
 <td><p>chemistry, electrolytes, solvation structure</p></td>
 <td><p>orionarcher, hmacdope, laurlee, IAlibay</p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="solvation-analysis develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="solvation-analysis develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="openmm-mdanalysis-reporter.html#openmm-mdanalysis-reporter"><span class="std std-ref">openmm-mdanalysis-reporter</span></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="openmm-mdanalysis-reporter.html#openmm-mdanalysis-reporter"><span class="std std-ref">openmm-mdanalysis-reporter</span></a></p></td>
 <td><p>OpenMM, Reporters</p></td>
 <td><p><a class="reference external" href="https://github.com/sef43/openmm-mdanalysis-reporter/blob/main/AUTHORS.md">openmm-mdanalysis-reporter authors</a></p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="openmm-mdanalysis-reporter develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="openmm-mdanalysis-reporter develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="lipyds.html#lipyds"><span class="std std-ref">lipyds</span></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="lipyds.html#lipyds"><span class="std std-ref">lipyds</span></a></p></td>
 <td><p>lipids, membranes</p></td>
 <td><p>lilyminium</p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="lipyds develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="lipyds develop CI status" src="https://img.shields.io/badge/develop-unavailable-inactive.svg" /></a></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="ProLIF.html#prolif"><span class="std std-ref">ProLIF</span></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="ProLIF.html#prolif"><span class="std std-ref">ProLIF</span></a></p></td>
 <td><p>drug-design, cheminformatics, molecular-dynamics</p></td>
 <td><p>Cédric Bouysset</p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="ProLIF develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="ProLIF develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="hole2-mdakit.html#hole2-mdakit"><span class="std std-ref">hole2-mdakit</span></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="hole2-mdakit.html#hole2-mdakit"><span class="std std-ref">hole2-mdakit</span></a></p></td>
 <td><p>pores, ion channels, transporters, HOLE</p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/hole2-mdakit/blob/main/AUTHORS.md">hole2-mdakit authors</a></p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="hole2-mdakit develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="hole2-mdakit develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="mdacli.html#mdacli"><span class="std std-ref">mdacli</span></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="mdacli.html#mdacli"><span class="std std-ref">mdacli</span></a></p></td>
 <td><p>command line interface, molecular-dynamics</p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/mdacli/blob/main/docs/AUTHORS.rst">mdacli authors</a></p></td>
 <td><p><a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="mdacli develop CI status" src="https://img.shields.io/badge/latest-passed-green.svg" /></a> <a class="reference external" href="https://github.com/MDAnalysis/MDAKits/actions"><img alt="mdacli develop CI status" src="https://img.shields.io/badge/develop-passed-green.svg" /></a></p></td>