On 02/13/2015 06:14 AM, [email protected] wrote: > Kindly look through this aspect of my script below. > > I keep getting the error: > > AttributeError: 'tuple' object has no attribute 'HasSubstructMatch' > > > #!/usr/bin/python > from rdkit import Chem > from rdkit.Chem import Draw > from rdkit.Chem import AllChem > > pains = []# Contains my PAINS query molecules > > > #Loop through data with PAINS query > > for p in pains: > match = [x for x in mols if x.HasSubstructMatch(p)] ^^^^^^^^^^^^^^^
The offender is mols. Post the code that makes mols, otherwise Chris's answer is the best you'll get. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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