[Zinc-fans] download all-now

John J. Irwin jji at cgl.ucsf.edu
Thu Sep 3 10:16:14 PDT 2009


Dear Matt

Thank you for pointing out that the "all-now" subset of ZINC is
incomplete.  There are 9.1 M molecules in this subset, but only 3.36M of
them are available in mol2 and SDF format (the SMILES file is complete).

I have started a re-build of this subset. It will be ready in about a week.

Thanks for your interest in ZINC, and your helpful feedback.

John
UCSF ZINC Team


mattia wrote:
> Dear all,
> we are trying to download the "all-now" subset.
> It should be constituted by more than 9M of molecules. After downloading 
> both sdf and mol2 format of "all-now" subset we obtain no more than 3,5M 
> molecules each format.
> Does anyone can explain this difference in subset dimension?
> Which is the real dimension of the "all-now" subset?
> How is it possible to download all 9M molecules directly in the sdf or 
> mol2 format?
>
> [in SMILE format we effectively download 9M of molecules (ZINC ID)...]
>
>
> Thanks for support.
>
> matt
>
> _______________________________________________
> Zinc-fans mailing list
> Zinc-fans at docking.org
> http://blur.compbio.ucsf.edu/mailman/listinfo/zinc-fans
>   


More information about the Zinc-fans mailing list