Hi Michal
This a problem that can be solved through two ways:
1) Execute a single query like this before calling the
rdkit.tanimoto_threshold:
select 'c1ccccc1O'::mol;
Then you can set a tanimoto threshold without problems. Is an internal bug,
that can be solved according to the second way
2) You can add this line to the postgressql.conf file:
shared_preload_libraries = 'rdkit'
This is a link with the explanation:
https://code.google.com/p/rdkit/wiki/BuildingTheCartridge
I hope it helps
On Thu, Jul 11, 2013 at 5:52 PM, 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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