Does the row.cd_smiles look like u'...'? You probably have to convert from
unicode to string within Python or use a different data type character
system in your RDBMS.
Adrian
On Thu, Nov 19, 2009 at 09:40, bouille <[email protected]> wrote:
> Dear Greg
>
> Using
> from rdkit import Chem
> from rdkit.Chem import AllChem
> from rdkit.Chem import AvailDescriptors
> mol = 'CC(C)c1ccccc1NN'
> resultvalue = AvailDescriptors.descDict['MolWt'](mol) it is OK
>
> if I use
> mol = Chem.MolFromSmiles(row.cd_smiles)
> row.cd_smiles comes from a database and
> I compare 'CC(C)c1ccccc1NN' and row.cd_smiles
> they look as similar
>
> I got the following error
>
> Python argument types in
> rdkit.Chem.rdmolfiles.MolFromSmiles(unicode)
> did not match C++ signature:
> MolFromSmiles(std::string SMILES, bool sanitize=True)
>
> Please write me what I can do ?
>
> Best Regards
> Bouille
>
>
>
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