Yes, I would prefer proper solutions here rather than workarounds. The
reason is I have many limitations/requirements I didn't mentioned. In
particular, I'm using django application, and this code will be placed
inside customManager so you can write something like:
mols =
CompoundMols.objects.similar_to('Cc1ccc2nc(-c3ccc(NC(C4N(C(c5cccs5)=O)CCC4)=O)cc3)sc2c1',
70)
and it will work. So far, this works great with oracle but I want to make
it work with postgres as well.
On Thu, Jul 11, 2013 at 5:23 PM, JP <[email protected]> wrote:
> I may have an idea for a workaround, and not a solution ...
>
> Why not try to set the parameter rdkit.tanimoto_threshold in a stored
> procedure and call the stored procedure from python? Instead of trying set
> xxx=yyy on the cursor directly.
>
> Just an idea,
> JP
>
>
>
>
> On 11 July 2013 16:52, Michał Nowotka <[email protected]> wrote:
>
>> Is is possible to specify similarity threshold for single query instead
>> of relying on global "rdkit.tanimoto_threshold" which I'm having problems
>> with?
>>
>> It would be much more intuitive to do so, otherwise I need to surround my
>> similarity search SQL with statements changing global threshold and
>> restoring it afterwards.
>>
>> Regards,
>>
>> Michał Nowotka
>>
>>
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