An example on protein structure

The idea of this example is to make an adf-input file using a PDB of an azurin (1DYZ.pdb). The result of this example should be that in the adf-input file the active site of azurin (Figure 1) is in the QM part, and the rest of the protein is in the MM part, and that the solvent water is added (in a box), which is also in the MM part.

Figure 1: the active site of azurin