[Rdkit-discuss] GetSubstructMatches

[Jean-Marc N. <jm....@un...>]

Hi all,

I have encountered the following problem :

Traceback (most recent call last):
   File "glmap.py", line 11, in <module>
     matches = mol.GetSubstructMatches(skel)
Boost.Python.ArgumentError: Python argument types in
     Mol.GetSubstructMatches(Mol, str)
did not match C++ signature:
     GetSubstructMatches(class RDKit::ROMol self, class RDKit::ROMol 
query, bool uniquify=True, bool useChirality=False, bool 
useQueryQueryMatches=False, unsigned int maxMatches=1000)

trying to find substructure skel in molecule mol.
I use RDKit under Windows, using Anaconda python and packages.
Presently, I have rdkitVersion 2016.03.1 and boostVersion 1_56.

I get similar messages with GetSubstructMatch and HasSubstructMatch.

Any idea?

All the best,

Jean-Marc

-- 

Dr. Jean-Marc Nuzillard
Institute of Molecular Chemistry
CNRS UMR 7312
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