Code Issue

[HITzhongyu]

Hi，Layne-Huang Thank you very much for your work, but while reading the code, at line 155 of the utils/protein_ligand.py file, the code reads as follows, def to_dict_atom_cutoff(self, ligand_pos, cutoff): and I would like to know why your code sets cutoff to 8 here, is this a priori knowledge?

[Layne-Huang]

It is set to get a smaller protein pocket which make it calculate more efficiently. You can also try other threshold like 10A or 20A.