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mojaie/gist:4357550

Last active December 10, 2015 01:19
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gistfile1.java
Reader reader = null;
try {
reader = new FileReader(new File("./temp/test/zinc_3929508.sdf"));
} catch (FileNotFoundException e) {
e.printStackTrace();
}
MDLV2000Reader mdl = new MDLV2000Reader(reader);
IMolecule molecule = null;
try {
molecule = (IMolecule)mdl.read(new Molecule());
} catch (CDKException e) {
e.printStackTrace();
}
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