Module demo

source code

Variables

[hide private]

smis = ['CCOC', 'CCO.Cl', 'CC(=O)[O-].[Na+]', 'CC[Cu]CC', 'OCC...

mols = [<rdkit.Chem.rdchem.Mol object>, <rdkit.Chem.rdchem.Mol...

supplier = <rdkit.VLib.Supply.SupplyNode object>

metals = '[#21,#22,#23,#24,#25,#26,#27,#28,#29,#39,#40,#41,#42...

smaFilter = <rdkit.VLib.NodeLib.SmartsMolFilter.SmartsFilter o...

salts = ['[Cl;H1&X1,-]', '[Na+]', '[O;H2,H1&-,X0&-2]']

remover = <rdkit.VLib.NodeLib.SmartsRemover.SmartsRemover object>

atsFilter = <rdkit.VLib.Filter.FilterNode object>

dupeFilter = <rdkit.VLib.NodeLib.SmilesDupeFilter.DupeFilter o...

io = <StringIO.StringIO object>

output = <rdkit.VLib.NodeLib.SmilesOutput.OutputNode object>

__package__ = 'rdkit.VLib.NodeLib'

i = 6

x = <rdkit.Chem.rdchem.Mol object>

Imports: RDConfig, Chem, os, Supply, Filter, StringIO, SDSupply, SmartsMolFilter, SmartsRemover, SmilesDupeFilter, SmilesOutput

Variables Details

[hide private]

smis

Value:

['CCOC',
 'CCO.Cl',
 'CC(=O)[O-].[Na+]',
 'CC[Cu]CC',
 'OCC',
 'C[N+](C)(C)C.[Cl-]',
 '[Na+].[Cl-]']

mols

Value:

[<rdkit.Chem.rdchem.Mol object>,
 <rdkit.Chem.rdchem.Mol object>,
 <rdkit.Chem.rdchem.Mol object>,
 <rdkit.Chem.rdchem.Mol object>,
 <rdkit.Chem.rdchem.Mol object>,
 <rdkit.Chem.rdchem.Mol object>,
 <rdkit.Chem.rdchem.Mol object>]

metals

Value:

'[#21,#22,#23,#24,#25,#26,#27,#28,#29,#39,#40,#41,#42,#43,#44,#45,#46,
#47,#57,#58,#59,#60,#61,#62,#63,#64,#65,#66,#67,#68,#69,#70,#71,#72,#7
3,#74,#75,#76,#77,#78,#79]'

smaFilter

Value:

<rdkit.VLib.NodeLib.SmartsMolFilter.SmartsFilter object>

dupeFilter

Value:

<rdkit.VLib.NodeLib.SmilesDupeFilter.DupeFilter object>