Hi Nico,

On Tue, Nov 23, 2010 at 12:23 AM, Nicolas Vervelle <[email protected]> wrote:
> For example, I know CML which can have a root element of type
> "http://www.xml-cml.org/schema/cml2/core:molecule";.
> Can CML have an other kind of root element ?

Yes. Many, actually. Conventions define in more detail the exact
structure of a CML document. Likely candidates are <cml> and <list>.

Jmol used to recognize conventions, and adapt it's reading
accordingly. See my 2001 paper where I described the approach I used
in Jmol and JChemPaint in 1999 or so. (I think there is a different
CML reader nowadays.)

See: http://www.citeulike.org/user/egonw/article/1375509

> What is the MIME type for CML files ?

I would use the CML specific one, preferably, which would make things
in MediaWiki much easier.

> What other XML formats exist and what are their root element ?

PubChem has XML formats (the CDK has LGPL readers, which could be used
as starting point).

And I heard the Molecular Networks is brewing on something...

MDL^WSymyx formats also come in an XML flavor, but mostly just wrap
the existing non-CML molfile blocks, IIRC. Not looked at it recently.

Egon

-- 
Dr E.L. Willighagen
Postdoctoral Research Associate
University of Cambridge
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

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