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Exception in thread "main" java.lang.NullPointerException
at org.openscience.cdk.smiles.CDKToBeam.addGeometricConfiguration(CDKToBeam.java:320)
at org.openscience.cdk.smiles.CDKToBeam.toBeamGraph(CDKToBeam.java:154)
at org.openscience.cdk.smiles.SmilesGenerator.create(SmilesGenerator.java:446)
at org.openscience.cdk.smiles.SmilesGenerator.create(SmilesGenerator.java:402)
at org.openscience.cdk.smiles.SmilesGenerator.create(SmilesGenerator.java:363)
Note that this doesn't occur if the extended SMILES atom labels are omitted.
Tested with CDK 2.7.1
The text was updated successfully, but these errors were encountered:
gives
Note that this doesn't occur if the extended SMILES atom labels are omitted.
Tested with CDK 2.7.1
The text was updated successfully, but these errors were encountered: