README.md

ppdx

Build protein-protein complexes and compute binding descriptors.

Install

1. Install ppdx with pip: pip install --user --upgrade python/ or run install.sh

2. Install modeller from their website

3. Install CHARMM and get a copy of the CHARMM force field

4. Install optional dependences. See config-ppdx.ini in example directories.

Usage

See the example directories.