Figure 5
Changes in R, Rfree, MolProbity clashscore and MolProbity score versus resolution after the refinement of different test sets with Fitmunk compared with a reference test set. The values are represented as a two-dimensional histogram using hexagonal bins. The color of each bin encodes the number of models that fall within it. Fitmunk was able to reproduce R and Rfree and improve the MolProbity score and clashscore (lower is better) even when noisy and incomplete test sets were used. Supplementary Table S1 shows the median changes for each analyzed resolution bin for the TS test sets. Black horizontal lines represent no change in the analyzed parameter. |