Rule Input Network Generator (RING)
RING is an automated reaction network generation and analysis tool that outputs reaction networks for complex reactive systems from user-defined inputs of initial reactants and chemical reaction rules. RING also takes user-provided post-processing instructions to analyze the topology of the generated network; possible post-processing instructions include: reaction pathway queries to isolate routes from defined reactants to products, lumping instructions to group functionally equivalent species (e.g. isomers) for network reduction, and mechanism queries to establish sequences of elementary steps describing the overall transformations of reactants to products. The following schematic depicts the overall protocol of RING:
RING can be downloaded here: RING-1.1.0.zip (release date October 13, 2015) with installation instructions here: install.pdf. Additional user documentation is included in the archive. Contact Professor Aditya Bhan (abhan AT umn DOT edu) with questions or bug reports.
Acknowledgements: Financial support from the Initiative for Renewable Energy at the University of Minnesota, the National Science Foundation, and the U. S. Department of Energy. The reaction language interface of RING was developed in collaboration with Prof. Eric Van Wyk and Ted Kaminski, Department of Computer Science & Engineering at the University of Minnesota, using the tools SILVER and COPPER developed in the MELT group.