Hi Paolo,
Thanks a lot for your prompt reply. I ended up coding this:
from rdkit import Chem
from rdkit import RDLogger
smart =
'[#6]1(:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6]:[#6]:2)-[#8,#6]'
mol = Chem.MolFromSmarts(smart)
lg = RDLogger.logger()
lg.setLevel(RDLogger.CRITICAL)
try:
Chem.SanitizeMol(mol)
except:
print 'OK'
Ciao,
Gaetano
On 02/18/2016 01:09 AM, Paolo Tosco wrote:
> Dear Gaetano,
>
> you may try the following:
>
> from rdkit import rdBase
> rdBase.DisableLog('rdApp.error')
>
> You may check the logging levels you wish to disable/enable in
> rdkit/RDLogger.py, or use a wildcard such as 'rdApp.*' to affect all
> levels at once.
>
> Best,
> Paolo
>
> On 17/02/2016 23:54, Gaetano Calabro wrote:
>> from rdkit import Chem
>>
>> smart =
>> '[#6]1(:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6]:[#6]:2)-[#8,#6]'
>>
>> mol = Chem.MolFromSmarts(smart)
>>
>> Chem.SanitizeMol(mol)
>
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