matrixRotate.setColumn(0, v);
v.set(x2, y2, z2);
v.normalize();
matrixRotate.setColumn(1, v);
v.set(x3, y3, z3);
v.normalize();
matrixRotate.setColumn(2, v);
atomSetCollection.setAtomSetCollectionAuxiliaryInfo(
"defaultOrientationMatrix", new Matrix3f(matrixRotate));
// first two matrix column vectors define quaternion X and XY plane
Quaternion q = new Quaternion(matrixRotate);