public static Matrix GetRmsdAndTransform(IChain move, int moveStart, int moveEnd, IChain stationary, int stationaryStart, int stationaryEnd, out float rmsd)
{
Matrix transform = Rmsd.GetRmsdTransformForResidues(move, moveStart, moveEnd, stationary, stationaryStart, stationaryEnd);
rmsd = GetRmsdNCAC(transform, move, moveStart, moveEnd, stationary, stationaryStart, stationaryEnd);
return(transform);
}
public static float GetRmsdNCAC(IChain peptide1, int rangeStart1, int rangeEnd1, IChain peptide2, int rangeStart2, int rangeEnd2)
{
Matrix transform = Rmsd.GetRmsdTransformForResidues(peptide1, rangeStart1, rangeEnd1, peptide2, rangeStart2, rangeEnd2);
float rmsd = GetRmsdNCAC(transform, peptide1, rangeStart1, rangeEnd1, peptide2, rangeStart2, rangeEnd2);
return(rmsd);
}
