Commit f989063d authored by cmaffeo2's avatar cmaffeo2
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Reordered A/B in minimizeRmsd() to be consistent with supplied arguments; does...

Reordered A/B in minimizeRmsd() to be consistent with supplied arguments; does not affect return values
parent f6b77677
......@@ -29,9 +29,9 @@ def minimizeRmsd(coordsB, coordsA, weights=None, maxIter=100):
def minimizeRmsd(coordsB, coordsA, weights=None):
q,comA,comB = _minimizeRmsd(coordsB, coordsA, weights)
q,comB,comA = _minimizeRmsd(coordsB, coordsA, weights)
assert( np.all(np.isreal( q )) )
return quaternion_to_matrix(q),comA,comB
return quaternion_to_matrix(q),comB,comA
## http://onlinelibrary.wiley.com/doi/10.1002/jcc.21439/full
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