Code name: cml

Marvin is capable of importing and exporting files in the Chemical Markup Language. Special atom types are lost during export.

Import. The following tags are recognized:

Export options and defaults. The argument of MolConverter and the getMol/getM functions (of the applets and beans) is the format string. The format specification ("cml") and the option(s) are separated by a colon in the format string. CML export currently only has one option which affects the compactness of the storage.

"cml" (default): Atoms are stored in <atom> tags, with the specification of three coordinates (x, y, z) and the element type.
"cml:A" (array option):       Atom attributes are stored in arrays instead of atom tags. For 2D molecules, only the x, y coordinates are stored. This is a more compact form of storage.
"cml:a" or "cml:+a":       Aromatize.
"cml:-a": Dearomatize.


<?xml version="1.0"?>
<molecule title="ethane">
    <atom id="a1" elementType="C"
          x2="0.0" y2="0.0"
          x3="0.0" y3="0.0" z3="0.0" />
    <atom id="a2" elementType="C"
          x2="0.0" y2="1.54"
          x3="0.0" y3="1.54" z3="0.0" />
    <bond atomRefs2="a1 a2" order="1" />

CML in other programs: