[Kalzium] [BlueObelisk-discuss] BODR relicensing to CCZero

[Egon Willighagen]

Hi Etienne,

On Mon, Feb 6, 2012 at 11:35 AM, Etienne Rebetez
<etienne.rebetez at oberwallis.ch> wrote:
> Am Donnerstag 26 Januar 2012, 21:21:28 schrieb Egon Willighagen:
>> since we just had a patch for BODR data, this may be the best moment
>> to discuss the future of BODR... there are still several projects
>> using it, though it may that Kalzium stopped using it (not entirely
>> sure)...
>
> Kalzium is still using it.

That is great news!

> Last year I pushed a few patches to upstream and
> they have been applyed. The only thing that is not yet in bodr are the
> oxidation states I added last summer.
> (Kalzium only uses the elements.xml, isotopes.xml and spectra.xml files)

OK, I will keep this in mind. Is this filed as a patch on SourceForge
yet? And, would you be OK to donate this under CCZero?

>> There are a few patches / bug reports, which I will want to apply, and
>> I also want to move away from XML towards RDF, and to write a few
>> tools to create easier to parse files, which previously has been done
>> by software using the data. Making it RDF means it can be more easily
>> shared in the semantic web, and this automatically be easily
>> accessible by websites, etc, etc
>
> Thats cool. But it may take a while until Kalzim has changed the parsing code.

Well, that is one of the things I am exploring now: what formats do we
want the data to be available in. And the current XML formats has
already been requested, so, there will be no need to update parsers,
unless you want to parse in data no longer being parsed.

So, the idea is to have one data bundle, and one bundle with scripts
to convert the RDF into other formats.

Egon

-- 
Dr E.L. Willighagen
Postdoctoral Researcher
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers