[Zinc-fans] zinc compound ids

John J. Irwin jji at cgl.ucsf.edu
Mon May 15 17:31:46 PDT 2006


Hi Kaitlyn

Thank you for this question about ZINC. This used to be approximately 
the "all purchasable" subset of ZINC. Little advertized, ZINC now also 
contains many molecules that are not purchasable, either because they 
were acquired from PubChem, or because their stock is reported as being 
depleted.

I am creating a new subset "everthing" which will include every compound 
in ZINC. I'm doing this now, so it should be ready later this week.

Thanks for your interest, and your patience.

John


Kaitlyn Hwang wrote:
> John,
>
> Is there a location where I can go to download all the mol2 mentioned in
> the properties.txt.gz?
>
>
> Thanks,
> Kaitlyn Hwang
> Argonne National Lab
>
> On Mon, 13 Mar 2006, John Irwin wrote:
>
>   
>> Hi Kaitlyn Hwang
>>
>> Sorry it's been so slow lately.
>>
>> You can get properties for the Jan 05 ZINC release at
>> http://blaster.docking.org/zinc/properties.txt.gz
>>
>> John
>>
>>
>>     
>>> -----Original Message-----
>>> From: zinc-fans-bounces at docking.org
>>> [mailto:zinc-fans-bounces at docking.org] On Behalf Of Kaitlyn Hwang
>>> Sent: Monday, March 13, 2006 12:31 PM
>>> To: zinc-fans at docking.org
>>> Subject: [Zinc-fans] zinc compound ids
>>>
>>> Hello,
>>>
>>> I want to get all the Zinc ids, and properites of the zinc
>>> from the database. Is there a fast way to request this
>>> besides using the browse/search tool? It takes a very long
>>> time to get the information and even longer waiting for the
>>> information to be downloaded.
>>>
>>> Kaitlyn Hwang
>>> Argonne National Lab
>>> _______________________________________________
>>> 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