hunterreadca/petra repository overview

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.

This docker image is best run with a wrapper shell script to handle file input/output and other options. Install the script with:

curl --silent  https://raw.githubusercontent.com/hunter-read/petra/master/petra/install.sh | sudo bash

Or clone the repo (https://github.com/hunter-read/petra⁠) and run it locally

Run script with petra -h for help menu

Contact for info or to report a problem: Hunter Read⁠