At some point, in the not too distant future (I hope), there will be an
updated version of the cartridge.
On Fri, Dec 8, 2017 at 3:55 PM, Rajarshi Guha <rajarshi.g...@gmail.com>
wrote:
> Thanks Riccardo.
>
> While I can see Rdkit 2017.09.2.0 is available on conda (
> https://anaconda.org/search?q=rdkit), rdkit-postgres seems to be stuck
> at 2016.03.4
>
> Can I update the rdkit installation and use it to update the Postgres
> extension? Or must I wait for a rdkit-postgres conda with the right version
> of Rdkit?
>
> On Thu, Nov 30, 2017 at 6:03 PM, Riccardo Vianello <
> riccardo.viane...@gmail.com> wrote:
>
>> Hi Rajarshi,
>>
>> On Thu, Nov 30, 2017 at 10:31 PM, Rajarshi Guha <rajarshi.g...@gmail.com>
>> wrote:
>>
>>> Hi, I'm working on an application that is trying to do arbitrary
>>> substructure queries across ChEMBL 23. I pretty much followed the
>>> instructions at http://www.rdkit.org/docs/Cartridge.html on a Postgres
>>> 9.2 instance with RDKit 2016.03.1 all running on a Linux box with 88GB of
>>> RAM.
>>>
>>
>> some 2016 releases were affected by a bug in the cartridge Makefile that
>> disabled any compiler optimization. If possible, I would suggest trying a
>> more recent version (>= 2016.09.1).
>>
>> Best,
>> Riccardo
>>
>>
>
>
> --
> Rajarshi Guha | http://blog.rguha.net
> NIH Center for Advancing Translational Science
>
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