Re: [Cdk-devel] atom typing *all* of PubChem

[Rajarshi G. <rg...@in...>]

On Sep 30, 2007, at 2:27 PM, Egon Willighagen wrote:

> On 9/30/07, Rajarshi Guha <rg...@in...> wrote:
>> Correct - I have to update it to use OB to ocnvert it.
>> Note that converting all of Pubchem to SD format takes hours with OB
>> and gives you a 21GB SD file
>
> Hahaha... OK, that is going to be a problem for me :) Will need to
> move that process to a different machine then.

The way the code is written - it only has to be done once. For  
subsequent runs, if a file called pubche.sdf is present, it will not  
do the download and conversion.

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Rajarshi Guha  <rg...@in...>
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