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OK, giving in big time: save aromatic bonds as MDL molfile bond order…
… 4, as the rest of the world
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egonw committed Mar 12, 2012
1 parent 78d82dd commit 889fcb6
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Expand Up @@ -238,6 +238,7 @@ public void doSaveAs() {
if (format instanceof MDLV2000Format) {
Properties properties = new Properties();
properties.setProperty("ForceWriteAs2DCoordinates", "true");
properties.setProperty("WriteAromaticBondTypes", "true");
Activator.getDefault().getJavaCDKManager().saveMolecule(
model, file, format, true, properties
);
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