Chemical Markup Language

From Open Babel
Revision as of 18:27, 5 January 2006 by Ghutchis (Talk | contribs) (Added to format category)

Jump to: navigation, search
Filename Extensions cml
Chemical MIME Type chemical/x-cml
Specification URL http://wwmm.ch.cam.ac.uk/moin/ChemicalMarkupLanguage
Import {{{import}}}
Export {{{export}}}
Open Babel Version {{{version}}}

Options

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 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.