OEHierFragment

class OEHierFragment

The hierarchical view has an OEHierFragment object in the hierarchy between OEHierChain and OEHierResidue. This gives a hierarchical view of a temporary snapshot of the data structure in the molecule used to construct the OEHierView which owns the fragment objects.

Constructors

OEHierFragment(i: OEHierFragImpl) -> OEHierFragment
OEHierFragment() -> OEHierFragment
OEHierFragment(arg2: OEHierFragment) -> OEHierFragment

Default and copy constructors.

GetAtom

GetAtom(resName: str, resIdx: int, pdbAtomIdx: int) -> OEAtomBase

GetFragmentNumber

GetFragmentNumber() -> int

Returns the integer representation of the fragment number for this fragment of the chain. While reading a PDB file, fragment numbers are incremented every time a TER record is encountered or a new ChainID is encountered.

GetOEResidue

GetOEResidue() -> OEResidue

Returns an arbitrary OEResidue object associated with this fragment.

GetResidue

GetResidue(resName: str, resIdx: int) -> OEHierResidue

Gives direct access to a residue using the typical information that a user might know about a residue of interest (e.g. - THR242). The chain specifier is not included because the chain is implied by the current object.

GetResidues

GetResidues() -> OEHierResidueIter
GetResidues() -> Iterable[OEHierResidue]

Returns an iterator over all of the residues in the fragment.