Hi
I am having problems getting the V3000 SDF reader to work. Code such as:
MDLV2000Reader mfReader = new MDLV2000Reader(new FileReader(new
File(filename)));
ChemFile chemFile = (ChemFile)mfReader.read((ChemObject)new ChemFile());
mfReader.close();
List<IAtomContainer> containersList =
ChemFileManipulator.getAllAtomContainers(chemFile);
works fine with V2000 files but, if I substitute the MDLV3000Reader and try to
open a V3000 sdf file
(several tried from multiple sources), the ChemFile is always Null.
What have I done wrong please?
Best wishes
Kevin
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Registered Office : Syngenta Limited, European Regional Centre, Priestley Road,
Surrey Research Park, Guildford, Surrey, GU2 7YH, United Kingdom
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