pyxmolpp2.AtomSpan class

Continuous span of atom references

Methods

def align_to(self, other: AtomSelection, weighted: bool = False) -> None
def align_to(self, other: AtomSpan, weighted: bool = False) -> None
def alignment_to(self, other: AtomSelection, weighted: bool = False) -> Transformation
def alignment_to(self, other: AtomSpan, weighted: bool = False) -> Transformation
def filter(self, arg0: typing.Callable[[Atom], bool], /) -> AtomSelection
def guess_mass(self, /) -> None
def inertia_tensor(self, /) -> numpy.ndarray[numpy.float64[3, 3]]: Inertia tensor
def mean(self, weighted: bool = False) -> XYZ: Mean coordinates
def rmsd(self, other: AtomSelection, weighted: bool = False) -> float
def rmsd(self, other: AtomSpan, weighted: bool = False) -> float
def to_pdb(self, path_or_buf: str) -> None: Write atoms as .pdb file
def to_pdb(self, path_or_buf: object) -> None: Write atoms in PDB format

def __and__(self, arg0: AtomSpan, /) -> AtomSpan
def __contains__(self, arg0: Atom, /) -> bool
def __getitem__(self, arg0: int, /) -> Atom
def __getitem__(self, arg0: slice, /) -> typing.Union[AtomSpan, AtomSelection]
def __init__(self, arg0: AtomSpan, /) -> None
def __iter__(self, /) -> typing.Iterator[Atom]
def __len__(self, /) -> int
def __or__(self, arg0: AtomSpan, /) -> AtomSelection
def __str__(self, /) -> str
def __sub__(self, arg0: AtomSpan, /) -> AtomSelection