Figure 2
Typical output from Nearest-cell, shown as part of Diamond's fast_dp report for a thaumatin unit cell. The results are appended to the end of a fast_dp run. Family 1 contained 46 thaumatin unit cells clustered together, showing the effectiveness of the family-clustering algorithm for reducing the number of results displayed to the user (inset). Note that this family contains two exact matches (r.m.s. difference = 0.00 Å).  [article HTML]