AtomSelection class
Ordered set of atom references
Contents
- Reference
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]]
- 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
- def to_pdb(self, path_or_buf: object) -> None
Special methods
- def __and__(self, arg0: AtomSelection, /) -> AtomSelection
- def __contains__(self, arg0: Atom, /) -> bool
- def __getitem__(self, arg0: int, /) -> Atom
- def __getitem__(self, arg0: slice, /) -> AtomSelection
- def __init__(self, arg0: AtomSelection, /) -> None
- def __init__(self, arg0: iterable, /) -> None
- def __iter__(self, /) -> typing.Iterator[Atom]
- def __len__(self, /) -> int
- def __or__(self, arg0: AtomSelection, /) -> AtomSelection
- def __str__(self, /) -> str
- def __sub__(self, arg0: AtomSelection, /) -> AtomSelection
Properties
- coords: CoordSelection get
- empty: int get
- index: typing.List[int] get
- molecules: MoleculeSelection get
- residues: ResidueSelection get
- size: int get