paramagpy.protein.CustomStructureBuilder.init_atom

CustomStructureBuilder.init_atom(name, coord, b_factor, occupancy, altloc, fullname, serial_number=None, element=None)

Create a new Atom object. :param - name - string, atom name, e.g. CA, spaces should be stripped: :param - coord - Numeric array: :type - coord - Numeric array: Float0, size 3 :param - b_factor - float, B factor: :param - occupancy - float: :param - altloc - string, alternative location specifier: :param - fullname - string, atom name including spaces, e.g. ” CA “: :param - element - string, upper case, e.g. “HG” for mercury: