If we instead take the lowest energy ten structures just from the first 18,000 jobs, the median RMSD is 4.49.
如果我们仅从前面18,000个任务中提取能量最低的十个结构,平均的RMSD则为4.49。
2
A simple iterative method for superimposing sets of NMR derived structures and calculation of the root mean square deviation (RMSD) of the sets is described.