Petra enables the analysis of a protein-ligand complex through rigidity analysis, by systematically cutting atoms from the ligand and evaluating the new ligand variant.
- Academic paper: https://dl.acm.org/doi/10.1145/3307339.3343862
- Docker: https://hub.docker.com/r/hunterreadca/petra
This repo provides a wrapper shell script to make managing petra easier through the docker container.
Easy install:
curl --silent https://raw.githubusercontent.com/hunter-read/petra/master/petra/install.sh | sudo bash