Howdy, Just a quick note to those who used my implementation of the Kabsch algorithm for alignments: I have uploaded another version to the wiki http://www.pymolwiki.org/index.php/Kabsch that uses, what I consider, an elegant solution to the problem --- SVD. Also, the new code fixes a small bug I had in the last code and you'll need Numpy for it.
Lastly, I've implemented the CE (structure-based) alignment algorithm as a plugin for PyMol. Details can also be found on the wiki at http://www.pymolwiki.org/index.php/Cealign I'll release the code if I can make the Python code fast or whenever I get the C/C++ code properly plugged into PyMol. (The C++ code on my machine aligns two 400+ residue proteins in about 0.250 seconds; the Python code for 167 residue proteins, 35 seconds!) Please forward bugs/comments to me, address below. Cheers, -- Jason -- Jason Vertrees javer...@utmb.edu
