I'm finding that the MDLV3000Writer class does not seem to output anything.
In the example below the V2000 output is fine, but the V3000 output is
an empty String.
Is this a bug?
Thanks
Tim
SmilesParser smilesParser =new
SmilesParser(DefaultChemObjectBuilder.getInstance());
IAtomContainer mol = smilesParser.parseSmiles("CCO");
StringWriter writer1 =new StringWriter();
MDLV2000Writer v2000writer =new MDLV2000Writer(writer1);
v2000writer.write(mol);
writer1.flush();
String v2000 = writer1.toString();
StringWriter writer2 =new StringWriter();
MDLV3000Writer mdl =new MDLV3000Writer(writer2);
mdl.write(mol);
writer2.flush();
String v3000 = writer2.toString();
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