Installation
=========================================================
PyeMap officially supports Python versions 3.7 and later, and has been tested for Linux and OSX platforms.

**Pip**

Pip installation will only install python dependencies. This is sufficient to run PyeMap analysis, 
but some features will be missing::

    $ pip install pyemap

For full functionality, install the following packages:

    - RDKit_: visualization of chemical stuctures
    - MSMS_: residue depth criterion for surface exposed residues (not available on MacOS Catalina)
    - DSSP_: solvent accessibility criterion for surface exposed residues
    - MUSCLE_: Multiple sequence alignment
    - Graphviz_: visualization of graphs
    - PyGraphviz_ : visualization of graphs

All of these packages can be downloaded free of charge from their respective owners, and build recipes are available on the
Anaconda_ cloud for some platforms.

.. _here: http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.591.840&rep=rep1&type=pdf
.. _MSMS: http://mgltools.scripps.edu/packages/MSMS
.. _DSSP: https://github.com/cmbi/xssp/releases
.. _Graphviz: https://graphviz.gitlab.io/
.. _Pygraphviz: https://pygraphviz.github.io/
.. _RDKit: https://www.rdkit.org/docs/Install.html
.. _MUSCLE: http://www.drive5.com/muscle/
.. _RCSB: https://www.rcsb.org/
.. _Anaconda: https://anaconda.org/