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
Moulin de la Housse
CPCBAI, Bâtiment 18
BP 1039
51687 REIMS Cedex 2
France
Tel : 33 3 26 91 82 10
Fax :33 3 26 91 31 66
http://www.univ-reims.fr/ICMR
http://eos.univ-reims.fr/LSD/
http://eos.univ-reims.fr/LSD/JmnSoft/
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