class Atom: def __init__(self, ATOM_ID, ATOM_NAME, ALT_LOCAT, RES_NAME, CHAIN_ID, RES_SEQ_NB, RES_INSER_CODE, COORD_X, COORD_Y, COORD_Z, OCCUPANCY, TEMP_FACT, ELEM_SYMBOL, ATOM_CHARGE): self.ATOM_ID = ATOM_ID self.ATOM_NAME = ATOM_NAME self.ALT_LOCAT = ALT_LOCAT self.RES_NAME = RES_NAME self.CHAIN_ID = CHAIN_ID self.RES_SEQ_NB = RES_SEQ_NB self.RES_INSER_CODE = RES_INSER_CODE self.COORD_X = COORD_X self.COORD_Y = COORD_Y self.COORD_Z = COORD_Z self.OCCUPANCY = OCCUPANCY self.TEMP_FACT = TEMP_FACT self.ELEM_SYMBOL = ELEM_SYMBOL self.ATOM_CHARGE = ATOM_CHARGE class Residue: def __init__(self, atomsList): self.ATOMS = {} for atom in atomsList: self.ATOMS[atom.ATOM_NAME] = atom if atom.ATOM_NAME == "N": self.N = atom if atom.ATOM_NAME == "CA": self.CA = atom if atom.ATOM_NAME == "C": self.C = atom if atom.ATOM_NAME == "O": self.O = atom if atom.ATOM_NAME == "CB": self.CB = atom if atom.ATOM_NAME == "CG1": self.CG1 = atom if atom.ATOM_NAME == "CG2": self.CG2 = atom