Figure 7
Fraction of PDB entries showing ice (first row), stacking-disordered ice Isd only (second row) and hexagonal ice Ih (third row), and the fraction of all entries with ice contamination that show hexagonal ice (fourth row), as determined using pice and the methods described in Section 2.6. Column (a) shows the variation with largest solvent-cavity size, using the 15 811 PDB entries analysed in Moreau et al. (2019). Columns (b), (c) and (d) show the variations with unit-cell volume, solvent content and the year the data were collected for a random set of 89 827 PDB entries. Dashed horizontal lines represent averages within an entire data set. |