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pyANCA
======

.. image:: /images/ancahome.png
   :align: right
   :scale: 10%

**Anharmonic Conformational Analysis**

pyANCA is a python library to measure anharmonicity in
Molecular Dynamics simulation data. The idea is to use higher order motion signatures
in the simulation data for organizing the conformational landscape into putative
conformational substates. 

To get started via pip run ::
    
    pip install pyanca

OR ::

    git clone https://github.com/ChakraLabPitt/pyanca
 
    Then go into pyanca folder and run

    python setup.py install

**New users refer**
-------------------

.. toctree::
     :maxdepth: 2

     motivation
     installation
     about
     examples
       
   
**Analysis tools for Molecular Dynamics simulations**
-----------------------------------------------------

.. toctree::
     :maxdepth: 2
    
     dataextraction
     alignment
     anharmonicity
    
.. toctree::
     :maxdepth: 2
     :hidden:
    
     faqs
     publications
     credits

.. vim: tw=75