The RingDecomposerLib is an ANSI-C library with a Python wrapper for calculation of Unique Ring Families (URFs) and other cycle bases (Relevant Cycles (RC), Smallest Set of Smallest Rings (SSSR)).
It has been developed at the Universität Hamburg, ZBH - Center for Bioinformatics, Research Group for Computational Molecular Design by Niek Andresen, Florian Flachsenberg and Matthias Rarey.
The library is distributed under the BSD 3-Clause license license.
Please Cite:
Kolodzik, A.; Urbaczek, S.; Rarey, M. Unique Ring Families: A Chemically Meaningful Description of Molecular Ring Topologies. J. Chem. Inf. Model., 2012, 52 (8), pp 2013–2021
Flachsenberg, F.; Andresen, N.; Rarey, M. RingDecomposerLib: An Open-Source implementation of Unique Ring Families and Other Cycle Bases. J. Chem. Inf. Model., 2017, 57 (2), pp 122–126
This package contains a C-library as well as an optional Python wrapper for the library.
See INSTALL or the documentation for detailed installation instructions.
The documentation is available on ReadTheDocs as a HTML and as a PDF document.