Subject: CML Status (was Is CML dead?)

From: "E.L. Willighagen" <[email-masked]>
Date: Wed, 12 Apr 2000 23:00:59 +0200 (MET DST)

> It is amazing how complicated even the simplest example there is.

do they use DOM or SAX? I know SAX can be complicated since you have to do
bookkeeping... 

> Happily the CML DTD is not extensible.

Mmmm... nice statement... while in principle true, in practice it is not...
Since CML is an open framework that can do much more than coordinates alone,
it can get very messy quickly... take this example:

<molecule>
  <string title="BP" units="Kelvin">78</string>
  <float title="boilingpoint units="Celcius">-195.0</float>
</molecule>

And do some cross combinations... try to match that... (now this is a bit simple
example, but you probably get my point). Since CML has only little to say on 
what you can and cannot give (what kind of properties) and how they are supposed
to be given (except for coordinates/charges and some other basic stuff), building
one standard library is difficult, but certainly not impossible...

> extern int cml_read_bonds(FILE *fp,int natoms,int **connect);

Oke, this is such a basic 'stuff'... but where is this going to end?

BTW, on ending... shall we move our discussing to this mailling list:

  http://ala.vsms.nottingham.ac.uk/biodom/xml-mol/

We can posed announcement and conclusion on this list when appropriate...

Egon