This document describes how to find pockets in a Protein using the Deep Origin Pocket Finder

Find pockets

First, we create a Protein, for example, using:

from deeporigin.drug_discovery import  Protein, BRD_DATA_DIR
protein = Protein.from_file(BRD_DATA_DIR / "brd.pdb")

We can then find pockets in this protein using the Pocket Finder tool:

pockets = protein.find_pockets(pocket_count=1)

Pockets can be visualized using:

protein.show(pockets=pockets)

You should see something like: