Dear CDK users,
allow me to briefly advertise to you the new "cdk-scaffold" module available in this separate repository of the CDK organisation on GitHub: https://github.com/cdk/cdk-scaffold. This new module contains several functionalities for extracting and analysing core structures (scaffolds) of molecular structures which can be seamlessly integrated into CDK-based workflows and applications. You can find details like installation instructions in the readme file of the repository (see link above), code examples in the repository wiki (https://github.com/cdk/cdk-scaffold/wiki), the JavaDoc documentation here http://cdk.github.io/cdk-scaffold/latest/docs/api/index.html?overview-summar y.html and all details of the functionalities, their implementation, and the scientific background in this article: https://doi.org/10.1186/s13321-022-00656-x. Any kind of feedback or question regarding the new module is very welcome! Kind regards, Jonas ___________ Jonas Schaub <mailto:jonas.sch...@uni-jena.de> jonas.sch...@uni-jena.de <http://orcid.org/0000-0003-1554-6666> http://orcid.org/0000-0003-1554-6666 Doctoral candidate of Steinbeck Research Group Friedrich-Schiller-University Jena, Germany <http://cheminf.uni-jena.de/> http://cheminf.uni-jena.de Institute for Analytical Chemistry Lessingstr. 8 07743 Jena
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