Figure 3
Numbers of sugars diagnosed by Privateer as `check', `no' and `yes' before and after refinement. A set of structures from the PDB were refined with the CCP4-ML dictionaries, the new dictionaries generated by AceDRG and the new dictionaries with unimodal torsion restraints activated. From left to right, the coloured bars represent the number of sugars before refinement (grey) and the numbers of analysed sugars after refinement with the CCP4-ML dictionaries (red), after refinement with the new updated dictionaries (blue) and after refinement with the new dictionaries with activated unimodal torsion restraints (yellow). (a) shows all analysed pyranosides and (b) only includes pyranosides that were diagnosed as `check' or `no' for at least one protocol. |