[Zinc-fans] ZINC search results

Douglas Houston dhouston at staffmail.ed.ac.uk
Thu Sep 20 13:59:18 PDT 2012


Hi John,

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  
number.

Thanks again.

Regards,

Doug



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.
>
> 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
>> 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.
>>
>>
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>




_____________________________________________________
Dr. Douglas R. Houston
Lecturer
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.




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