The MRV has all the export options that CML has, except option ':A' (in MRV the usage of array format for the description of atoms is decided automatically upon the content of the molecule). In addition, MRV has a further export option:
Codename | Explanation |
---|---|
S | Save selection. If set then the MRV output will contain which atoms and graphical objects are in selected state. |
Exported without options:
<?xml version="1.0"?><cml>
<MDocument><MChemicalStruct><molecule title="Ethane" molID="m1"><atomArray atomID="a1 a2" elementType="C C" x2="0.0 0.0" y2="0.0 1.54"> </atomArray><bondArray><bond atomRefs2="a1 a2" order="1"></bond></bondArray></molecule></MChemicalStruct><MRectangle id="o2"><MPoint x="-6.599999904632568" y="1.7050000429153442"></MPoint><MPoint x="-2.640000104904175" y="1.7050000429153442"></MPoint><MPoint x="-2.640000104904175" y="-0.16500000655651093"></MPoint><MPoint x="-6.599999904632568" y="-0.16500000655651093"></MPoint></MRectangle></MDocument>
</cml>
Exported with option "P"
<?xml version="1.0"?>
<cml>
<MDocument>
<MChemicalStruct>
<molecule title="Ethane" molID="m1">
<atomArray atomID="a1 a2" elementType="C C" x2="0.0 0.0" y2="0.0 1.54"/>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
</bondArray>
</molecule>
</MChemicalStruct>
<MRectangle id="o2">
<MPoint x="-6.599999904632568" y="1.7050000429153442"/>
<MPoint x="-2.640000104904175" y="1.7050000429153442"/>
<MPoint x="-2.640000104904175" y="-0.16500000655651093"/>
<MPoint x="-6.599999904632568" y="-0.16500000655651093"/>
</MRectangle>
</MDocument>
</cml>
Exported with options "SP"
<?xml version="1.0"?>
<cml>
<MDocument>
<MChemicalStruct>
<molecule title="Ethane" molID="m1">
<atomArray atomID="a1 a2" elementType="C C" isSelected="true true" x2="0.0 0.0" y2="0.0 1.54"/>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
</bondArray>
</molecule>
</MChemicalStruct>
<MRectangle id="o2" isSelected="true">
<MPoint x="-6.599999904632568" y="1.7050000429153442"/>
<MPoint x="-2.640000104904175" y="1.7050000429153442"/>
<MPoint x="-2.640000104904175" y="-0.16500000655651093"/>
<MPoint x="-6.599999904632568" y="-0.16500000655651093"/>
</MRectangle>
</MDocument>
</cml>