Docker container for haddock-antibody protocol

Docker container for haddock-antibody protocol The container also contains haddock-tools, freesasa and additional scripts required to prepare intput for the local version of haddock

Usage

For example, let's prepare data for docking 4G6K antibody (therapeutic antibody binding fragment of gevokizumab) to 4I1B.pdb as antigen.

docker run -v $(pwd)/examples:/data -i -t quay.io/antonkulaga/haddock-antibody:latest /bin/bash

and then inside of the container:

pdb_fetch  4G6K > 4G6K.pdb
pdb_fetch 4I1B > 4I1B.pdb
start.py start --antibody 4G6K.pdb --antigen 4I1B.pdb --output output

Building container

Just run:

./build-docker.sh