wat2polar      
===============
Usage   
--------
.. parsed-literal::

    cg_spica wat2polar :strong:`SPICA_PDB` :strong:`pSPICA_PDB`

Description
-----------
``wat2polar`` converts SPICA CG water to pSPICA polar CG water.
SPICA CG ions are also converted to pSPICA's. This program recognizes
the residue names **WAT** or **TIP3** as SPICA CG water, 
and the residue names **SOD** and **CLA** as SPICA CG ions,
which are given in a CG configuration file in the PDB format.
The residue name of SPICA CG water is converted to **PWAT** of pSPICA water.

The pSPICA water is created by randomly adding a site at 1.1 A 
away from the center of the SPICA water without energy minimization.
The center and the added sites become the WO and WH segments of the pSPICA 
water, respectively. 

Example
-------
.. code-block:: bash

    cg_spica wat2polar dopc.cg.pdb p_dopc.cg.pdb

.. image:: figures/wat2polar_example.jpg
    :scale: 40

:download:`dopc.cg.pdb <data/dopc.cg.pdb>` 
:download:`p_dopc.cg.pdb <data/p_dopc.cg.pdb>`  

Positional args
---------------

``SPICA_PDB`` [<.pdb>] 
    Input SPICA configuration
``pSPICA_PDB`` [<.pdb>] 
    Output pSPICA configuration after the above conversion