Difference between revisions of "Chemical Markup Language"

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m (Added version info)
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  |version=1.100 and later

Revision as of 09:27, 30 January 2006

Filename Extensions cml
Chemical MIME Type chemical/x-cml
Specification URL http://wwmm.ch.cam.ac.uk/moin/ChemicalMarkupLanguage
Import Yes
Export Yes
Open Babel Version 1.100 and later


 XML format. This implementation uses libxml2.
 Write options for CML: -x[flags] (e.g. -x1ac)
 1  output CML1 (rather than CML2)
 a  output array format for atoms and bonds
 h  use hydrogenCount for all hydrogens
 m  output metadata
 x  omit XML and namespace declarations
 N<prefix> add namespace prefix to elements

Additional Comments

The XML formats require the XML text to be well formed but generally interpret it fairly tolerantly. Unrecognised elements and attributes are ignored and there are rather few error messages when any required structures are not found.