Have you tried Riccardo's first solution: executing the command
select 'c1ccccc1O'::mol;
first?
If that works it should just need to be done once per database connection.
-greg
On Jul 11, 2013, at 7:23 PM, Michał Nowotka <[email protected]> wrote:
> As I said, in other question, I don't have provilidges to edit
> postgresql.conf, so I'm looking for other solution.
>
> And I'm not sure if the settings are issue here, as this query works
> perfectly from pgAdminIII.
>
>
> On Thu, Jul 11, 2013 at 5:50 PM, Rodrigo Ochoa <[email protected]>
> wrote:
>> 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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>>
>>
>> --
>> ----------------------------------------------------------------------------------------------------
>> Rodrigo Alonso Ochoa Deossa
>> Bioengineer - MSc(c) Basic Biomedical Sciences
>> University of Antioquia - SIU - PECET
>> Medellín, Colombia
>> e: [email protected]
>> t: +57-4-2196622
>> m: +57-3004505174
>> ------------------------------------------------------------------------------------------------------
>
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