Re: [BlueObelisk-SMILES] Making progress on open chemistry file formats

[Craig J. <cj...@em...>]

I own the DNS name "opencheminformatics.org", and would be happy to turn it
over if anyone is interested. I intended to use it to broaden the
opensmiles.org effort but am now mostly an observer. On the other hand, I'm
not sure that open file formats really falls under the topic of
"cheminformatics."

Craig

On Fri, Feb 17, 2017 at 8:07 AM, Greg Landrum <gre...@gm...>
wrote:

>
>
> On Fri, Feb 17, 2017 at 2:47 PM, Geoffrey Hutchison <
> geo...@gm...> wrote:
>
>> > At the moment I believe that there is no "official" (to the extent that
>> word has any useful meaning in a distributed version control environment)
>> place for the OpenSMILES work. I'm only aware of the repo that's under
>> Tim's github account, but if I missed something please let me know.
>>
>> https://github.com/opensmiles
>>
>> This already runs the OpenSmiles.org website and has taken a pile of pull
>> requests. I'd be happy to add people as admins.
>>
>
> Hmm, I clearly did a crap job of my search for OpenSMILES. <sigh>
>
>
>> > In the near term I would like to have a central place where we
>> (=whoever is working on this effort) can collaborate; the idea of creating
>> the OpenChemistryFileFormats org in github and forking those two repos was
>> to provide that central place.
>>
>> There's certainly OpenChemistry and I can make sure anything happens
>> there - I'm an admin of that org.
>>
>> I don't mind creating OpenChemistryFileFormats, but OpenChemistry already
>> has https://github.com/OpenChemistry/chemicaljson which is supposed to
>> be an open standard.
>>
>
> Looks like I may have been premature with the OpenChemistryFileFormats
> org. I can always get rid of that if it's the right thing to do. I'd like
> to have a central place for these things to live and for the collaboration
> to happen and I don't have a strong opinion where that should be. The
> advantage in my head of having a separate github org is that stuff is easy
> to find and there's no confusion about what's part of the effort and what
> not (for example, the ChemicalJSON format would not be in this initial
> pass). The disadvantage is that there is a risk of being perceived as
> "seperatists" (not sure what the right word is here) and loss of possible
> "branding" benefits from being under the OpenChemistry label. I'll hold off
> on doing anything with that github org until more feedback comes in here.
>
> -greg
>
>
>
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-- 
---------------------------------
Craig A. James
Chief Technology Officer
eMolecules, Inc.
---------------------------------