examples/enzyme_design/enzyme_design.json

{
    "M0255_1mg5_unfixed": {
        "input": "./M0255_1mg5.pdb", 
        "ligand": "NAI,ACT",
        "unindex": "A108,A139,A152,A156",
        "length": "180-200",
        "select_fixed_atoms": {
            "A108": "ND2,CG",
            "A139": "OG,CB,CA",
            "A152": "OH,CZ",
            "A156": "NZ,CE,CD",
            "ACT": "OXT",
            "NAI": ""
        }
    }
}