[Orechem] Update on Cambridge work

Nick Day ned24 at cam.ac.uk
Thu Jun 10 11:12:45 EDT 2010


Hi,

A few points on recent progress:

* CrystalEye has now ingested and processed the ~250 CIFs from the eCrystals
Atom archive feed (these can be viewed at
http://wwmm.ch.cam.ac.uk/crystaleye/summary/soton/ecrystals/2010/08-06/).
* The moieties extracted from the eCrystals structures have now been added
to the moiety feed (http://wwmm.ch.cam.ac.uk/crystaleye/feed/moiety/feed.xml
).
* All moieties now have an associated RDF file (in N3 syntax) describing the
ORE aggregation.  This is made available as an enclosure for each entry in
the moiety feed.
* I have altered the moiety harvester in the crystaleye-harvesters library (
http://bitbucket.org/ned24/crystaleye-harvesters/) to also download the N3
file when each entry is handled.

cheers,
Nick
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