Minor patch

stracquadaniolab · Feb 20, 2024 · 395e392 · 395e392
1 parent eda5bd4
commit 395e392
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diff --git a/bin/mutant_maker.py b/bin/mutant_maker.py
diff --git a/bin/openmm-runner.py b/bin/openmm-runner.py
@@ -8,7 +8,7 @@
 
 #pdb = PDBFile(sys.argv[1])
 pdb = PDBFixer(sys.argv[1])
-pdb.applyMutations(mutationResidues='19', newResidues='ALA')
+pdb.addMutations(mutationChain='A', mutationResidues='19', newResidues='ALA')
 pdb.findMissingResidues()
 pdb.findNonstandardResidues()
 pdb.replaceNonstandardResidues()