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.CSJD与CCD结果分别取自参考文献[41]的表1与参考文献[40]的表2。与CCD的设置一致，我们的SOS计算中每个测试循环均执行了5000次试验。不过，绝大多数最小均方根偏差（Root Mean Square Deviation, RMSD）均在前3000次试验中即可达成。本次报告的全部结果均来自每个测试循环的单次运行，且采用了相同的随机种子。若更换不同的随机种子，部分指标的计算结果可得到进一步优化。