On 8/22/12 6:06 AM, wrote:
we just stumbled across the same problem Ben had last year: get_transformation_aligning_first_to_second doesn't give the correct results. Can the resulting transformation be applied with get_transformed, like in the example?
Sure. You can also check the test case in modules/algebra/test/test_geom_alignment.py. It's possible that in pathological cases it's unable to improve the RMSD though.
Ben -- http://salilab.org/~ben/ "It is a capital mistake to theorize before one has data." - Sir Arthur Conan Doyle