Figure 8
(a) Clashscore (Chen et al., 2010) analysis for a set of 56 test refinements using torsion NCS with rotamer correction (blue diamonds), global NCS (red triangles), no NCS (orange circles) and REFMAC5 (green triangles). (b) Clashscore analysis for torsion NCS restraints only (purple crosses), rotamer correction only (light blue dashed crosses) and torsion NCS with rotamer correction (blue diamonds). Both plots are sorted by increasing rotamer outlier percentage using torsion NCS restraints with rotamer correction. |