Table 3 Comparison of pacoPacker, CIS-RR and SCWRL4 in the 442 structure set.

Method

${\mathcal{X}}_1\left(40^{\circ }\right)$

${\mathcal{X}}_1\left(20^{\circ }\right)$

${\mathcal{X}}_{12}\left(40^{\circ }\right)$

${\mathcal{X}}_{12}\left(20^{\circ }\right)$

RMSD (Å)