Loading deepchem/feat/binding_pocket_features.py +1 −0 Original line number Diff line number Diff line Loading @@ -81,6 +81,7 @@ class BindingPocketFeaturizer(Featurizer): ------- A numpy array of shale `(len(pockets), n_residues)` """ if len( import mdtraj protein_coords = rdkit_util.load_molecule( protein_file, add_hydrogens=False, calc_charges=False)[0] Loading Loading
deepchem/feat/binding_pocket_features.py +1 −0 Original line number Diff line number Diff line Loading @@ -81,6 +81,7 @@ class BindingPocketFeaturizer(Featurizer): ------- A numpy array of shale `(len(pockets), n_residues)` """ if len( import mdtraj protein_coords = rdkit_util.load_molecule( protein_file, add_hydrogens=False, calc_charges=False)[0] Loading
