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Re: CML RSS: msg#00036

science.chemistry.blue-obelisk

Subject: Re: CML RSS

At 13:21 24/05/2007, Daniel Zaharevitz wrote:

On May 24, 2007, at 7:38 AM, Rzepa, Henry wrote:

Had a chance to play with the latest Bioclipse and although there were bugs (which we may sort out tomorrow) the OPML tool is able to feed CrystalEye stuff to Bioclipse and display it. So I favour the traditonal idea of a feed with a fairly short list of back items - e.g. last 30 entries. If you miss them you have to look elsewhere for the archive. So the RSS feed should be a FIFO.

I am convinced that we should promote Bioclipse as the rich client and I think that it could work well for NCI. Will require quite a lot of work in quality assurance, etc. - testing different platforms etc. but then the CMLRSS could be very exciting. Bioclipse has "features" (bad name - really pluginSets) which can be customised to provide task-oriented collections of plugins. Thus NCI could have a "submisson" feature, or a "latest compounds" CMLRSS feature.

P.

At 13:32 +0200 24/5/07, Egon Willighagen wrote:
I think this way will be easier for clients and servers alike.

It would not be too difficult to support this in Bioclipse.

If the link resolves to an RDF description or a GRDDL-able HTML page you
could retrieve additional metadata as well.

Any thoughts?

Yeah, I have seen CMLRSS used at more occassions to publish a full
database. I do not feel this appropriate use of CMLRSS. Maybe it is, but
running it on a large database is going to give problems.

Agreed. I am getting keen on using RDF as a medium-size database management strategy. It could manage, say, 10K compounds quite easily. Early days


See my previous post. It would be silly to use CMLRSS to express
a full database

I agree.



I my view, the area of application of RSS and CMLRSS is news, either about
publishing new blog items or news headlines or new additions to
molecular/crystal databases.


Agreed! Or, as I wrote earlier, if the CMLRSS is generated from
a selective query (which could be, show me the latest 15 additions
for molecules with this sub structure).

I also agree. We haven't done anything in a while mainly because we haven't completely worked out our update procedures so the update schedule has been inconsistent, but I always thought the main use for CMLRSS would be to get notification of new data of interest, where the interest is some defined by some reasonably restricted search. I also echo Henry's misgivings about moving the actual chemical information out of the main feed. The most important summary IS the chemical structure (in the way I think chemists would be interested in using it) and while there is no big problem with having a display of structures with a "click here for additional data", I think it would be pretty useless to have a list of "new compound", "new compound", etc. with a "click here to see structure".

Agreed. We may have to rethink details when performance hits us. I think a real win would be a page layout of - say - 48 molecules and this could be easily produced from the feed. Perhaps with selection buttons so you could choose which to store locally. And maybe - as NickDay has done - from a avriety of feeds. So we have a steroid feed, a glycoside feed, etc. They can obviously overlapr and be merged or intersected. RDF will be great for the filters.

P.



DanZ

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* Daniel Zaharevitz
* Chief, Information Technology Branch
* Developmental Therapeutics Program
* National Cancer Institute
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