Chemical Markup Language
From Open Babel
Revision as of 09:27, 30 January 2006 by Ghutchis (Added version info)
|Chemical MIME Type||chemical/x-cml|
|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
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.