Hi, I want to apply a SMIRKS pattern to a molecule and get the products as a result. My understanding is that CDK does not support this at the moment. Is that correct?
The ambit-smirks package by IdeaConsult seems to offer the functionality I am looking for. However, it declares a dependency on cdk 2.2.1 in its latest pom ( https://github.com/ideaconsult/ambit-mirror/blob/master/ambit2-all/pom.xml). We use cdk 2.71 and I don't want to downgrade. Does anyone have any experience with bumping the cdk version in ambit and compiling it yourself? Any help is much appreciated. Best Uli
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