ppdx

Build protein-protein complexes and compute binding descriptors.

Install

Install ppdx with pip: pip install --user --upgrade python/ or run install.sh
Install modeller from their website
Install CHARMM and get a copy of the CHARMM force field
Install optional dependences. See config-ppdx.ini in example directories.

See the example directories.

Name		Name	Last commit message	Last commit date
Latest commit History 84 Commits
ddgs-dataset-run		ddgs-dataset-run
example-1brs		example-1brs
example-flu		example-flu
example-hiv-breadth		example-hiv-breadth
example-hiv-vrc01		example-hiv-vrc01
example-skempi-itc		example-skempi-itc
python		python
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
install.sh		install.sh
ppdx.pdf		ppdx.pdf