Welcome to gmx_clusterByFeatures' documentation
===============================================

gmx_clusterByFeatures can be used to cluster the conformations of a molecule in
a molecular dynamics trajectory using collection of features. The features could
be any quantity as a function of time such as Projections of eigenvector from
PCA or dihedral-PCA, distances, angles, channel radius etc.


Installation on Linux and MacOS
-------------------------------

.. code-block:: bash

    sudo pip3 install gmx-clusterByFeatures

No dependency on GROMACS. Just install it and use it.


Contents
--------
.. toctree::
   :maxdepth: 1

   Introduction <intro>
   Download and Installation <install>
   How to use gmx_clusterByFeatures? <usage>
   Tutorials <tutorials>