Re: [Rdkit-discuss] RDKit "cannot create mol from SMILE" error

te: > >> That doesn't look like a valid SMILES to me, I don't think a think a >> smiles string can start with a parenthesis ( branch ). >> >> >> Brian Kelley >> >> On Jan 18, 2017, at 6:18 PM, Larson Danes <lgda...@gmail.com> wro

[Rdkit-discuss] RDKit "cannot create mol from SMILE" error

Hi all, I'm using the following query in postgresql (with the rdkit extension installed): "select casrn from mols where m @> CAST(? AS mol)" This returns "ERROR: could not create molecule from SMILES '...' " on occasion. One such SMILE that causes this error regularly is '(C=C1)[N+]([O-])=O'.

[Rdkit-discuss] rdkit-postgresql cartridge not included in repository install?

e webserver use case? Any help here is greatly appreciated. Thanks all, Larson Danes -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year o