def getRMSD(self, xyzOne, xyzTwo): '''calculates just the rmsd of the two conformations''' sumSquared = 0.0 for atomIndex in xrange(len(self.atomXyz[xyzOne])): sumSquared += geometry.distL2Squared3( self.atomXyz[xyzOne][atomIndex], self.atomXyz[xyzTwo][atomIndex]) rmsd = (sumSquared / len(self.atomXyz[xyzOne])) ** 0.5 return rmsd