[Kalzium] Can I read these CML-properties in OB 2.1?

[Carsten Niehaus]

Moin moin

In BlueObelsik [1], there are about 500 CML-files. In my project Kalzium [2] I 
am now working on a frontend to these files which is similar to this example 
[4].
If you look at the cml-xml of these files (for example like in [3]) you'll 
notice very important properties like the meltingpoint

   <property dictRef="cml:mpt" title="melting point">
    <scalar dataType="xsd:decimal" errorValue="2.0" dictRef="cml:mpt" 
units="unit:celsius">283</scalar>
   </property>

or the InChI-ID

 <identifier version="InChI/1">
  <basic>1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)
10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1</basic>
 </identifier>

After grepping OpenBabels code (todays svn/trunk) I found no way to read these 
properties. So the only way around this seems to be to write a XML-parser 
myself. As these Properties are at least in part in the cml:: namespace they 
are kind of "official", I think. Not sure about the InChI/1-ID, though.

Is this out of scope for OB? Or just a lack of manpower and it will come when 
somebody is willing to do it?

Carsten

[1] -- http://wiki.cubic.uni-koeln.de/bowiki/index.php/Main_Page
[2] -- http://edu.kde.org/kalzium/index.php
[3] -- 
http://chem-file.sourceforge.net/amino_acids/2S-2-amino-3-1H-indol-3-yl_propanoic_acid.cml
[4] -- 
http://chem-file.sourceforge.net/amino_acids/2S-2-amino-3-1H-indol-3-yl_propanoic_acid_de.html
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