Difference between revisions of "Chemical Markup Language"
From Open Babel
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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. | 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. | ||
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Revision as of 18:27, 5 January 2006
| 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.
