*Aqua-Duct* a new tool facilitating analysis of the flow of solvent molecules in molecular dynamic simulations.

Homepage: `aquaduct.pl <http://aquaduct.pl/>`_


Overview
========

*Aqua-Duct* comprises of two elements:

1. aquaduct,
2. valve.

*aquaduct* is a Python module. It is a collection of tools to trace residues in MD simulation.
*valve* is a driver Python script. It uses *aquaduct* to perform such a tracing.

Availability
============

*Aqua-Duct* is licensed under `GNU GPL v3 license <https://www.gnu.org/licenses/gpl-3.0.en.html>`_.
Source code is available at `aquaduct.pl <http://aquaduct.pl/>`_.

Installation
============

*Aqua-Duct* can be easily installed via PyPi::

    pip install aquaduct

Detailed instructions on *Aqua-Duct* installation are available at `aquaduct.pl <http://aquaduct.pl/>`_.

To start using Aqua-Duct type::

    valve.py --help

Troubleshooting
===============

If you encounter any problems with installation do not hesitate to contact us at info@aquaduct.pl. We are **REALLY** willing to help!
Please, visit also *Aqua-Duct* homepage `aquaduct.pl <http://aquaduct.pl/>`_.
