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smis = ['CCOC', 'CCO.Cl', 'CC(=O)[O-].[Na+]', 'CC[Cu]CC', 'OCC
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mols = [Chem.MolFromSmiles(x) for x in smis]
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supplier = Supply.SupplyNode(contents= mols)
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metals = '[#21,#22,#23,#24,#25,#26,#27,#28,#29,#39,#40,#41,#42
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smaFilter = SmartsMolFilter.SmartsFilter(patterns= [metals], c
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salts = ['[Cl;H1&X1,-]', '[Na+]', '[O;H2,H1&-,X0&-2]']
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remover = SmartsRemover.SmartsRemover(patterns= salts)
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atsFilter = Filter.FilterNode(func= lambda x: x.GetNumAtoms()
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dupeFilter = SmilesDupeFilter.DupeFilter()
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io = StringIO.StringIO()
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output = SmilesOutput.OutputNode(dest= io, delim= ', ', idFiel
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Imports: RDConfig, Chem, os, Supply, Filter, StringIO
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smis
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metals
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smaFilter
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atsFilter
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output
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Generated by Epydoc 3.0.1 on Sat Apr 23 18:49:15 2016 | http://epydoc.sourceforge.net |