markfortner

These would be DOM elements outside of the NGL viewer that the user would click on. These would be created using feature data from UniProt. The data is usually in...

@dackers86 I have 3 inter-related collections that I’d like to be able to export and treat relationally. /companies /companies-pipeline - which contains drug company pipelines /companies-indications - which contains the...

Hi John, the only link I found was the sourceforge one that you found. In the code itself, there was a reference to a class called **ReactionEnumerator** with the CDK...

I believe this is the code from Andreas' paper on reaction enumeration with CDK-Taverna: https://sourceforge.net/p/cdktaverna2/code/HEAD/tree/trunk/cdk-taverna-2-activity/src/main/java/org/openscience/cdk/applications/taverna/reactionenumerator/ReactionEnumeratorActivity.java#l45 The last import statement references a CDK **ReactionEnumerator** class. That said, I came across another...

@johnmay any idea on when the WIP that you mentioned would be generally available? I assume that there's a way to create a transform from a RXN file. We'd like...

Thanks for the SMIRKS code @johnmay. I will give that a try in Groovy the next chance I get.