Hi Sebastian,
On Fri, Jun 15, 2018 at 12:38 PM Sebastian Wandernoth <[email protected]>
wrote:
>
> I managed to create the index and the search is much faster now.
>
I'm glad you figured that out. I'm sure Nadine (who was going to otherwise
need to answer) is too! :-)
Would you mind sharing the command that you used?
> Any help on the matter of rendering the reactions directly from the
> database would still be greatly appreciated.
>
That's not currently possible, but it should be pretty easy to get into the
next release. Here's the github item:
https://github.com/rdkit/rdkit/issues/1916
-greg
>
> Thanks
> Sebastian
>
> *Gesendet:* Donnerstag, 14. Juni 2018 um 15:47 Uhr
> *Von:* "Sebastian Wandernoth" <[email protected]>
> *An:* [email protected]
> *Betreff:* [Rdkit-discuss] creating an index on reactions in postgres
> Hi all,
>
> I want to create an index on my reaction objects that I have in my
> Postgres database. I'm using version 0.73.0 of the cartridge.
>
> In the tutorial I found only the possibility to create an index on
> molecules. I'm referring to the line "create index molidx on rdk.mols using
> gist(m);"
>
> Is there something similar to this for reactions?
>
> On another note, I recognized that there is an option to render an svg "on
> the fly" from the database (mol_to_svg(mol, cstring, integer, integer,
> cstring)). Is there a similar routine for reactions?
>
> I hope you can help me!
>
> Thanks in advance
> Sebastian
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