User-defined target pocket for DiffDock

[genesup]

Hello,

is there a way to select a particular binding pocket as the target for DiffDock? E.g., by reference ligand or by providing a list of amino acid residues? Such functionality is available in Boltz-1 but I could not find it in the DiffDock documentation. Sorry if I missed it.

Thanks for your feedback

[victoriaspdf]

Same problem. protein with two pocket and the ligand just in the wrong one.