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Commit a84b831

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OliverBScott
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Small bug fix (murcko annotation)
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scaffoldgraph/core/fragment.py

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Original file line numberDiff line numberDiff line change
@@ -343,6 +343,8 @@ def get_annotated_murcko_scaffold(mol, scaffold=None, as_mol=True):
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annotated = rdmolops.ReplaceSidechains(mol, scaffold)
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if as_mol:
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return annotated
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if annotated is None:
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return ''
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return MolToSmiles(annotated)
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