Created
September 5, 2012 14:19
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CDK IteratingMDLReader with skip
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Reader reader = new BufferedReader(new FileReader(new File("ChEBI_lite.sdf")), | |
2048); | |
// instantiate the iterating reader with skip=true in the constructor | |
IteratingMDLReader sdf = new IteratingMDLReader(reader, | |
SilentChemObjectBuilder.getInstance(), | |
Boolean.TRUE); | |
while (sdf.hasNext()){ | |
IAtomContainer container = sdf.next(); | |
/// logic | |
} | |
sdf.close(); |
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