[Orechem] Cambridge progress 08/06/2010

[Nick Day]

Hi,

A quick progress report, as it seems I can't connect to the telconf.

* I have been working with Mark to get CrystalEye harvesting CIFs from the
eCrystals Atom Archive feed.  I now have most of the software in place -
CrystalEye has obtained 238 CIFs from the feed.  In the next day or so they
should have been processed and made available on the moiety feed.
* I have created OREChem descriptions for the moities in the moiety feed (
http://wwmm.ch.cam.ac.uk/crystaleye/feed/moiety/feed.xml) and included
another enclosure for each entry pointing to the OREChem RDF (which is in N3
syntax).  Note that the RDF for each moiety contains triples describing the
provenance of the data (there is dc:source triple relating the moiety to
it's parent CIF, and one relating the CIF to the DOI).
* I'm altering the crystaleye-harvesters library to also download the
OREChem RDF when the moiety feed harvester is run by Indiana.  This'll be
done today and I'll send an email to Indiana when finished.
* We also had a task from Indiana about converting Gaussian output to RDF.
PMR and I have started work on this, but it is likely to be until at least
the next meeting before it is ready.

At present, we aren't waiting for work from any of the other parties.

cheers,
Nick
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