projet_court/src/atom.py

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