pdb2pqr 3.0.0

Automates many of the common tasks of preparing structures for continuum solvation calculations as well as many other types of biomolecular structure modeling, analysis, and simulation.

This package contains the [PDB2PQR software](http://www.poissonboltzmann.org/docs/structures-ready/).

# Getting started

For more information about PDB2PQR, please see

• [User guide](http://www.poissonboltzmann.org/docs/pdb2pqr-algorithm-description/)

• [Programmer guide](http://www.poissonboltzmann.org/docs/pdb2pqr-programmers/)

• [License information](COPYING)

• [Details of recent changes](ChangeLog.md)

Please see the [user guide] for documentation and the [COPYING file](COPYING) for license information.

Please see [programmer’s guide] for information on working with the PDB2PQR code.

# Testing

Testing can be performed from this directory via the following command:

` $ PYTHONPATH=propka31 python -m pytest `