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#625 Wrong 2D image

cdk-1.0.x
closed
Stefan Kuhn
None
5
2012-11-03
2008-03-31
Gábor Bakos
No

I have tried out the recent KNIME 2D coordinate node (CDK 1.0.? inside).
The following SMILES:
[H]O[C@]12OC3=C([H])C([H])=C([H])C([H])=C3C([H])=C1[N+]4([H])C([H])([H])C([H])([H])C2([H])C([H])([H])C4([H])[H]
looked strange.
I wanted to test this with CDK 1.0.2, but I could not find out how to make this kind of functionality.

The attached picture shows the problem. (The Depict view is here:
http://www.daylight.com/daycgi/depict?5b485d4f5b43405d31324f43333d43285b485d2943285b485d293d43285b485d2943285b485d293d433343285b485d293d43315b4e2b5d34285b485d2943285b485d29285b485d2943285b485d29285b485d294332285b485d2943285b485d29285b485d294334285b485d295b485d
)

Discussion

  • Gábor Bakos
    Gábor Bakos
    2008-03-31

     
    Attachments
  • Stefan Kuhn
    Stefan Kuhn
    2008-06-13

    Logged In: YES
    user_id=452972
    Originator: NO

    Created a test (StructureDiagramGeneratorTest.testBug1930186) in cdk 1.0.x, which works. The error cannot be confirmed. Perhaps a Knime problem?