diff --git a/bin/openmm-runner.py b/bin/openmm-runner.py index 1b4f431..f868498 100755 --- 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.addMutations(mutationResidues='19', newResidues='ALA') +pdb.applyMutations(mutationResidues='19', newResidues='ALA') pdb.findMissingResidues() pdb.findNonstandardResidues() pdb.replaceNonstandardResidues()