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Re: CML RSS: msg#00033

science.chemistry.blue-obelisk

Subject: Re: CML RSS

At 12:09 +0100 24/5/07, Jim Downing wrote:
>Hi all,
>
>I've been talking to Nick Day about the issues he's been having with CMLRSS,
>i.e. the feed itself is problematically large.


the original intent was to provide CML within the feed to provide
metainformation
about the molecule and to allow eg visual display (using Jmol/JChemPaint)
and allow opportunities to filter the feeds according to eg molecular formula,
or connectivity (which Jmol implemented in part).
Having to retrieve each entry as an enclosure would inhibit/
prevent such uses, particularly if there were many (1000s)
of such enclosures. Another intent of CMLRSS is that it would in fact
be dynamically generated by eg a PHP/MySQL query, which would
restrict the answers returned. Obviously, if CMLRSS is in fact a full
expression of a database containing 1M molecules, this would not
be practical.

Granted, if its used to provide a feed for 1000s of molecules or a smaller
number of very large molecules, the feed itself does get large. However,
recollect that another use of RSS is audio/video. Here, one item may be
50-500 Mbytes in size. Remember, RSS is not designed as "real time"
system, but designed to work automatically "overnight". Thus size
may not be a particular concern when machine is talking to machine.
Having one file containing eg 1000 molecules might be more efficient
than one file containing merely pointers to 1000 molecules, which
would require 1000 http requests.

RSS 1.0 which was used for CMLRSS does not in fact support the concept
of an enclosure, for which RSS 2.0 was developed specifically. Atom
may also support enclosure, but as I understand it, only RSS 1.0 allows
RDF to be delivered (neither RSS 2.0 nor Atom do this). So
If we do go down this route, we might have to produce separate RSS 1.0
and eg Atom 1.0 feeds. I have not studied the specifications recently,
so I may well need to be corrected on this. Part of the original intention
was that CMLRSS could be used to automatically populate an RDF
triple store, so the loss of RDF would be missed.
--

Henry Rzepa.
+44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax);
rzepahs-ee4meeAH724@xxxxxxxxxxxxxxxx (iChat)
http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7
2AZ, UK.

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