Hi Max,
Yes, you need to build the cartridge with InChI support enabled:
USE_INCHI=1 make
If you are on a modern processor, you probably also want:
USE_INCHI=1 USE_POPCOUNT=1 make
this will be easier in the next release, when the cartridge build process
will be integrated with the rest of the RDKit build.
-greg
On Thu, Mar 3, 2016 at 3:23 PM, Max Kretzschmar <[email protected]>
wrote:
> Dear all,
>
> I have a problem regarding the postgres cartridge. Everything is working
> fine except the Inchi functions:
>
> select * from mol_inchi('c1ccccc1'::mol);
> mol_inchi
> ---------------------
> InChI not available
> (1 Zeile)
>
>
> The RDKit was build from source with InChI support and they are available
> within my python environment. The RDKit version I use is 2014_03_01, the
> cartridge version is 0.72.0. Did I miss something here? Is there a
> parameter to set when building the cartridge?
>
> I appreciate any help you can provide.
>
> Max
>
> --
> Max Kretzschmar
>
> PhD Student / pharmacist
>
> Workgroup Prof. Knut Baumann
> Institute of Medicinal and Pharmaceutical Chemistry
> Braunschweig University of Technology
>
> Beethovenstraße 55
> D-38106 Braunschweig
> Germany
> [email protected]
> Tel: + 49 (0) 531 391 2772
>
>
>
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