OESequenceAlignment OEGetSimpleAlignment(OEChem::OEMolBase &mol1, OEChem::OEMolBase &mol2, unsigned int assume = OEAssumption::Default, unsigned int method = OESeqAlignmentMethod::PAM250, int gap = -10, int extend = -2);
Returns the alignment of two proteins in an OESequenceAlignment object. Only the first chain of each protein is considered.
- mol1, mol2
The two proteins of which alignment is being calculated.
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.
This value has to be from the
OESeqAlignmentMethodnamespace and it defines the algorithm that is used to generate the molecule alignment.
- gap, extent
The gap and extension penalty to be used in the alignment. See also Gap penalty in Wikipedia.