Minimum RMS from X-ray structures for three different algorithms.

CSJD and CCD results were obtained from Table 1 and Table 2 of ref [41] and ref [40], respectively. As in CCD, 5,000 trials were performed for each test loop in our SOS calculations. However, the majority of minimum RMSD's were reached within the first 3,000 trials. All the results reported here came from a single run per loop, using the same random seed. Some of these values can be improved if a different seed is chosen.