diff --git a/alphafold/relax/amber_minimize.py b/alphafold/relax/amber_minimize.py index e21a0dc30..308b393ad 100644 --- a/alphafold/relax/amber_minimize.py +++ b/alphafold/relax/amber_minimize.py @@ -27,10 +27,10 @@ import ml_collections import numpy as np import jax -from simtk import openmm -from simtk import unit -from simtk.openmm import app as openmm_app -from simtk.openmm.app.internal.pdbstructure import PdbStructure +import openmm +from openmm import unit +from openmm import app as openmm_app +from openmm.app.internal.pdbstructure import PdbStructure ENERGY = unit.kilocalories_per_mole diff --git a/alphafold/relax/cleanup.py b/alphafold/relax/cleanup.py index 4bdd449d2..0778d67ca 100644 --- a/alphafold/relax/cleanup.py +++ b/alphafold/relax/cleanup.py @@ -20,8 +20,8 @@ import io import pdbfixer -from simtk.openmm import app -from simtk.openmm.app import element +from openmm import app +from openmm.app import element def fix_pdb(pdbfile, alterations_info): diff --git a/alphafold/relax/cleanup_test.py b/alphafold/relax/cleanup_test.py index 7061b2929..874882cde 100644 --- a/alphafold/relax/cleanup_test.py +++ b/alphafold/relax/cleanup_test.py @@ -17,7 +17,7 @@ from absl.testing import absltest from alphafold.relax import cleanup -from simtk.openmm.app.internal import pdbstructure +from openmm.app.internal import pdbstructure def _pdb_to_structure(pdb_str):