[Zinc-fans] Subset 'Clustering and Diversity' Lists Broken Links

[T. Andrew Binkowski]

John,
I notices that the Clustering and Diversity lists for subset 23 are  
broken.  Here is what I tried to download:

http://zinc.docking.org/subset1/23/23_t70.smi

Here is the response:

Error 404 - file not found.
You are in a twisty website of broken documents, all alike...

Thanks,
Andrew Binkowski

On Jul 1, 2009, at 8:52 PM, John J. Irwin wrote:

> Hi Andrew
>
> A new version of "drugs now" appeared on the website today and is  
> ready for download.
>
> Here is the blog entry about it: http://docking.org/?q=node/118
>
> John
> UCSF ZINC Team
>
>
> T. Andrew Binkowski wrote:
>>
>> Hi,
>> I have a question on clarification of what 'single' and 'usual'  
>> mean and how to deal with them.  Here is my scenario:
>>
>> In the 70% clustering "drugs now" subset, it lists the following  
>> compound:
>>
>> 23_t70.smi  -- C(C(F)(F)F)OC(F)F ZINC01995123
>>
>> I downloaded the entire "drugs now - usual" subset and ZINC01995123  
>> was not present.  It was not present in the "single" subset either.
>>
>> If I use the wget techniques in the FAQ:
>>   wget http://zinc8.docking.org/fget2.pl?f=m&l=1&z=ZINC01995123  
>> returns nothing.
>>  wget http://zinc8.docking.org/fget2.pl?f=m&l=0&z=ZINC01995123  
>> returns the molecule.
>>
>>
>> So, my questions:
>> 1) Is this the correct behavior or an error for this particular  
>> compound?
>> 2) Are the 'usual' compounds only present for a subset of the  
>> single compounds (e.g. all compounds in zinc have a 'single' state,  
>> but not necessarily a 'usual' state?
>> 3) What is the best (most reliable) way to download a compound from  
>> a subset list?  Download from single first and then check for  
>> 'usuals'?  Or check for usual, if none, then download from single?
>>
>> Thanks,
>> Andrew
>>
>> ----------------------------------------------------------------------------
>> T. Andrew Binkowski, Ph.D.
>> Center for Structural Genomics of Infectious Diseases &
>>  Midwest Center for Structural Genomics
>> Biosciences Division, Argonne National Laboratory
>> 9700 S. Cass Av. Argonne, IL 60439
>> Telephone: 630-252-3927 Fax: 630-252-6991
>> ----------------------------------------------------------------------------
>>
>>
>> _______________________________________________
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>>

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