Commit 69cbcb65 authored by Bharath Ramsundar's avatar Bharath Ramsundar
Browse files

Dealing with forgotten import statement

parent 9cd2f313

deepchem/dock/tests/test_pose_scoring.py

+1 −0
Original line number Diff line number Diff line
@@ -9,6 +9,7 @@ __author__ = "Bharath Ramsundar" 
__copyright__ = "Copyright 2016, Stanford University"

__license__ = "GPL"



import sys

import unittest

import tempfile

import os

deepchem/feat/grid_featurizer.py

+2 −2
Original line number Diff line number Diff line
@@ -738,8 +738,8 @@ def _is_hydrogen_bond(protein_xyz, protein, ligand_xyz, 


  protein_atom_index = contact[0]

  ligand_atom_index = contact[1]

  protein_atom = protein.GetAtom(protein_atom_index+1)

  ligand_atom = ligand.GetAtom(ligand_atom_index+1)

  protein_atom = protein.GetAtom(int(protein_atom_index+1))

  ligand_atom = ligand.GetAtom(int(ligand_atom_index+1))

  if protein_atom.IsHbondAcceptor() and ligand_atom.IsHbondDonor():

    for atom in ob.OBAtomAtomIter(ligand_atom):

      if atom.GetAtomicNum() == 1:

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