`plinder.core.index.interface`#

Public access to one protein interface in a PLINDER release.

class plinder.core.index.interface.PlinderInterface(*, system_id: str, release: PlinderRelease | None = None, source_mmcif: Path | str | None = None, reconstruction_dir: Path | str | None = None)[source]#

Bases: object

One annotated protein-chain interface in a biological assembly.

property annotation: Series#: Return the unique published annotation row for this interface.

property entry_pdb_id: str#: Return the source PDB entry ID.

property biounit_id: str#: Return the deposited biological-assembly ID.

property chains: tuple[str, str]#: Return the two canonical assembly-chain instance IDs.

property source_mmcif_path: Path#: Return the explicit or release-cached deposited PDB mmCIF.

property atom_array: AtomArray#: Return the exact biological-assembly chain pair in memory.

property chain_structures: dict[str, AtomArray]#: Return the two interface sides keyed by assembly-chain instance.

property sequences: dict[str, str]#: Return full polymer sequences keyed by assembly-chain instance.

property interface_residue_masks: dict[str, 'NDArray[np.bool_]']#: Return atom masks for the annotated interface residues on each side.

property interface_structure: AtomArray#: Return atoms belonging to annotated interface residues.

reconstruct(*, output_cif: Path | str | None = None, overwrite: bool = False) → Path#: Write the two-chain biological-assembly interface as an mmCIF.

property interface_cif: Path#: Return the standard reconstructed interface mmCIF path.