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lddt_deprecated.rst 24.70 KiB
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lDDT (deprecated)

Warning

These functions in ost.mol.alg are deprecated. Consider using the newer implementation in :class:`ost.mol.alg.lDDTScorer` instead.

Object containing enough information to uniquely identify an atom in a structure.

param chain: A string containing the name of the chain to which the atom belongs
param residue_number: The number of the residue to which the atom belongs
type residue_number: :class:`~ost.mol.ResNum`
param residue_name: A string containing the name of the residue to which the atom belongs
param atom_name: A string containing the name of the atom

Dictionary-like object containing the list of interatomic distances that originate from a single residue to be checked during a run of the Local Distance Difference Test algorithm (key = pair of :class:`UniqueAtomIdentifier`, value = pair of floats representing min and max distance observed in the structures used to build the map).

Dictionary-like object containing all the :class:`~ost.mol.alg.ResidueRDMap` objects related to all the residues (key = :class:`~ost.mol.ResNum`, value = :class:`ResidueRDMap`).