Do not cap chains in test_charge_and_solvate

openmm · Aug 10, 2024 · 63eb0a7 · 63eb0a7
1 parent c4f4dbe
commit 63eb0a7
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/pdbfixer/tests/test_charge_and_solvate.py b/pdbfixer/tests/test_charge_and_solvate.py
@@ -32,9 +32,9 @@ def test_charge_and_solvate(pdbCode, soluteCharge):
     chainLengths = [len([*chain.residues()]) for chain in fixer.topology.chains()]
     for chainidx, residx in list(fixer.missingResidues):
         if residx == 0:
-            fixer.missingResidues[chainidx, residx] = ["ACE"]
+            fixer.missingResidues[chainidx, residx] = []
         elif residx == chainLengths[chainidx]:
-            fixer.missingResidues[chainidx, residx] = ["NME"]
+            fixer.missingResidues[chainidx, residx] = []
 
     fixer.findNonstandardResidues()
     fixer.replaceNonstandardResidues()