[Zinc-fans] ZINC search results
dhouston at staffmail.ed.ac.uk
Thu Sep 20 13:59:18 PDT 2012
Thanks very much for your reply. I resorted to wc -l in the end.
The fact that the results are limited to less than 5000 or 1000 is not
a problem for me; my search returned around 3000 compounds. It's just
that it would be easier if the user could know how many hits their
search is returning without having to download a file first. Often
searches are iterative in that that the user already has a rough idea
of the number of hits he wants and refines his search to meet this
Quoting John Irwin <jir322 at gmail.com> on Thu, 20 Sep 2012 08:59:22 -0700:
> 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.
> On Thu, Sep 20, 2012 at 5:10 AM, Douglas Houston <
> dhouston at staffmail.ed.ac.uk> wrote:
>> 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).
>> Dr. Douglas R. Houston
>> Room 3.23
>> Institute of Structural and Molecular Biology
>> Michael Swann Building
>> King's Buildings
>> University of Edinburgh
>> Edinburgh, EH9 3JR, UK
>> Tel. 0131 650 7358
>> The University of Edinburgh is a charitable body, registered in
>> Scotland, with registration number SC005336.
>> Zinc-fans mailing list
>> Zinc-fans at docking.org
Dr. Douglas R. Houston
Institute of Structural and Molecular Biology
Michael Swann Building
University of Edinburgh
Edinburgh, EH9 3JR, UK
Tel. 0131 650 7358
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.
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