Hi,
My request is gonna be very similar to this one in the Mail
Archive<http://www.mail-archive.com/[email protected]/msg00047.html>
.
I am working on a project completely similar to the one of Mikko Kasanen,
the difference being that we are using the Python API for our coding.
(Reminder: the user provides a smiles string or a file containing a molecule
and a Tanimoto threshold, and we would like to output the list of molecules
of our big database that are similar enough to the input).
I have noticed that the Pybel library doesn't support that similarity
search, but that openbabel.py should. But cannot use the FindSimilar()
method because of the type of the arguments. So basically my question is:
Is there a way to use the method FindSimilar() with Python? I think SWIG
doesn't support multimaps for Python.
Thank you for your support,
Regards
Floriane Montanari
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