Hi all,Why does StripMolWithDeleted return [LiH] as the deleted salt instead of [Na] in the following example? I am using version 2018.03.1
smiles = 'CC(=O)O.[Na]' mol = Chem.MolFromSmiles(smiles) remover = SaltRemover() res, deleted = remover.StripMolWithDeleted(mol, dontRemoveEverything=True) print(Chem.MolToSmiles(deleted[0])) >>> [LiH] Thank you, Mariana
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