- Pull the repository.
- chmod +x fetch.sh
- ./fetch.sh pdbs.csv 10
- Use ./fetch.sh -h if confused.
#Steps are as follows.
- Download relevant pdb files.
- Use pdb_prep to cut extraneous chains and align to 3EA.
- Remove waters and extraneous ions.
Use at your own risk, spent short amount of time double checking.
Ligand Box defined by the coordinates -0.762,11.91, 3.930.