OEHierResidue

class OEHierResidue

This is the lowest temporary object in the hierarchical view. OEHierResidue objects are available from within the OEHierFragment object and give access to the OEAtomBase objects within the molecule at the time the parent OEHierView was created. Any atom deletions or additions after the creation of the OEHierView will not be available in the object. However, changes to atoms or bonds will be available via the OEAtomBase API. The bonds of a molecule are not directly available through the OEHierView object, but instead must be accessed via the OEAtomBase.GetBonds API point.

Constructors

OEHierResidue(i: OEHierResImpl) -> OEHierResidue
OEHierResidue() -> OEHierResidue
OEHierResidue(arg2: OEHierResidue) -> OEHierResidue

Default and copy constructors.

GetAtom

GetAtom(pdbAtomIdx: int) -> OEAtomBase

Returns an atom specified by the PDB atom index.

GetAtoms

GetAtoms() -> OEAtomIter
GetAtoms() -> Iterable[OEAtomBase]

Returns an iterator over all of the atoms in the residue.

GetOEResidue

GetOEResidue() -> OEResidue

This returns an arbitrary OEResidue object associated with this OEHierResidue.

See also

• Example program reshist.py

GetResidueName

GetResidueName() -> str

Returns the residue name.

GetResidueNumber

GetResidueNumber() -> int

Returns the integer representation of the residue number for this residue of the fragment.