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Update test_protein_ligand_prep.py
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talagayev authored Nov 1, 2023
1 parent f5fb9da commit 3928533
Showing 1 changed file with 1 addition and 1 deletion.
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Expand Up @@ -31,7 +31,7 @@ def test_prepare_ligand():
rdkit_mol = prepare_ligand(TEST_LIGAND_FILE, minimize_molecule=True)

# Add your assertions here to check if the preparation worked as expected
assert of_molecule is not None # Check if the result is not None
assert rdkit_mol is not None # Check if the result is not None

def test_rdkit_to_openmm():
# Create an RDKit molecule (rdkit_mol) and provide a name.
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