[Zinc-fans] Zinc ID's of a list of supplier catalog numbers

[John J. Irwin]

Hi Loraine

Thanks for your interest in ZINC, and your question about mapping
ChemBridge catalog numbers to ZINC IDs.

May I suggest you download the "Purchasing information" for the
ChemBridge subset, available from the "by vendors" page under ChemBridge.

http://zinc.docking.org/vendor0/chbr/chbr_purch.xls

This is a tab-delimited file, which maps ZINC IDs to ChemBridge IDs.
Then you just write a 5 line perl or python script to map them.

Does this sound ok?

Bien à vous

John


BRILLET Loraine 216515 wrote:
>
> Hi,
>
>  
>
> I have a list of around 16 500 ChemBridge catalog numbers for which
> I’d like to have their corresponding ZINC ID.
>
> How is this possible? (apart of doing it one by one on the ZINC search
> page…!)
>
>  
>
> Thanks,
>
>  
>
> Loraine
>
>  
>
> _____________________________________________
>
>  
>
> Loraine Brillet
>
>  
>
> Centre de Criblage pour Macromolécules Bio-Actives CMBA
>
> CEA Grenoble - DSV - iRTSV
>
>  
>
> 17 avenue des Martyrs, 38054 Grenoble cedex 9, France
>
> email : loraine.brillet at cea.fr <mailto:loraine.brillet at cea.fr>
>
> tel : ++33 (0)4 38 78 21 47
>
> fax : ++33 (0)4 38 78 50 32
>
>  
>
>  
>
>  
>
> ------------------------------------------------------------------------
>
> _______________________________________________
> Zinc-fans mailing list
> Zinc-fans at docking.org
> http://blur.compbio.ucsf.edu/mailman/listinfo/zinc-fans
>