[Zinc-fans] ZINC search results

John Irwin jir322 at gmail.com
Thu Sep 20 08:59:22 PDT 2012


Hi Doug

Thanks for your question about ZINC.  It will be a lot faster if you
download SMILES and do

wc -l on the file.  Should be a few seconds in most cases.

We truncate at 5000 or 10000, depending on who you are, so this only works
for modest size result sets.

A future version of ZINC will be better at getting google-like estimates or
even precise numbers of hits. For now, for performance reasons, we must
limit the results of searches to 5000 or 10000.

John


On Thu, Sep 20, 2012 at 5:10 AM, Douglas Houston <
dhouston at staffmail.ed.ac.uk> wrote:

> Hi,
>
> Can someone please let me know if there's a way to tell how many hits
> a structure search has returned on the results web page? All I can see
> is the page number I'm on and how many compounds there are per page -
> not how many pages or compounds there are in total.
>
> At the moment I'm having to download the results to a file just so I
> can count them (which is taking an age - 3kB/s download speed).
>
> cheers,
>
> Doug
>
>
> _____________________________________________________
> Dr. Douglas R. Houston
> Lecturer
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> Institute of Structural and Molecular Biology
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> University of Edinburgh
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