semvec/pypi-packages huggingface dataset:
pdb2pqr-htmd-propka30 0.0.4
PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations
License: BSD

pdb2pqr
============

This directory is the home for the [PDB2PQR software](http://www.poissonboltzmann.org/docs/structures-ready/). 

Some useful information:
* See the [install notes](INSTALL.md) to build pdb2pqr.
* Using pdb2pqr [binaries](BINARY_README.md)
* Latest [changelog](ChangeLog.md)
* For testing the [server](ServerNotes.md) (for developers)


Please see the [user guide](http://www.poissonboltzmann.org/docs/pdb2pqr-algorithm-description/) for documentation and the [COPYING file](COPYING) for license information.

Please see [programmer's guide](http://www.poissonboltzmann.org/docs/pdb2pqr-programmers/) for information on working with the PDB2PQR code.