OEGetAlignment
OEGetAlignment(m1: Union[OEGraphMol,OEMol,OEQMol],
m2: Union[OEGraphMol,OEMol,OEQMol], assume: int,
method: int, gap: int = -10, extend: int = -2,
nonStdToX: bool = False) -> OESequenceAlignment
Returns the highest scored alignment of all pairwise chain alignments calculated by
OEGetAlignments.
- mol1, mol2
The two proteins of which alignment is being calculated. No 3D coordinates are required for sequence alignment; however, if the returned OESequenceAlignment is passed to
OERMSD, both molecules must have 3D coordinates assigned.- assume
A bitmask that indicates whether the algorithm can assume that the given proteins have perceived residues, have PDB ordered atoms, or have bonded residues. See the
OEAssumptionnamespace for more information.- method
This value has to be from the
OESeqAlignmentMethodnamespace and it defines the algorithm that is used to generate the molecule alignment.- gap, extend
The gap and extension penalty to be used in the alignment. See also Gap penalty in Wikipedia.
- nonStdToX
Option to convert non-standard residues to an X, default is false.
See also
OEGetAlignmentsfunctionOEGetSimpleAlignmentfunction