From: Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms
Chemical element
Number of atoms
Babel (original)
Babel (modified)
Errors
%
Nitrogen
431
54
12.5
34
7.8
Oxygen
1036
4
0.3
0
Carbon
2979
40
1.3
Others
120
1
0.8
Total
4566
99
2.2
0.7