pyxmolpp2.Frame class

Molecular frame

Contents

Methods

def add_molecule(self, /) -> Molecule
def to_pdb(self, path_or_buf: str) -> None
def to_pdb(self, path_or_buf: object) -> None

Special methods

def __eq__(self, arg0: Frame, /) -> bool
def __getitem__(self, arg0: str, /) -> Molecule
def __hash__(self, /) -> int
def __init__(self, /) -> None
def __init__(self, arg0: Frame, /) -> None
def __ne__(self, arg0: Frame, /) -> bool
def __str__(self, /) -> str

Properties

atoms: AtomSpan get
cell: UnitCell get set
coords: CoordSpan get
index: int get set
Zero-based index in trajectory
molecules: MoleculeSpan get
residues: ResidueSpan get
time: float get set
Time point in trajectory, a.u.