Dear all, i am trying to create SMARTS-Pattern for a structure. The structure is an AtomContainer and read from an MDL file. If i try to call Smarts.generate( AtomContainer ) i get this error message:
java.lang.ClassCastException: org.openscience.cdk.Bond cannot be cast to org.openscience.cdk.isomorphism.matchers.QueryBond Has anyone a clue, where my mistake is? Many thanks, Manuel Stesycki IT 0208 / 306-2146 Physikbau, Büro 117 [email protected]<mailto:[email protected]> Max-Planck-Institut für Kohlenforschung Kaiser-Wilhelm-Platz 1 D-45470 Mülheim an der Ruhr http://www.kofo.mpg.de/de
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