https://github.com/zetxtech/ringdecomposerlib

https://github.com/zetxtech/ringdecomposerlib

Last synced: 12 months ago
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• Host: GitHub
• URL: https://github.com/zetxtech/ringdecomposerlib
• Owner: zetxtech
• License: other
• Created: 2024-07-28T22:16:51.000Z (almost 2 years ago)
• Default Branch: rename_v1.1.3_rdkit
• Last Pushed: 2024-07-28T22:34:04.000Z (almost 2 years ago)
• Last Synced: 2025-06-01T02:08:25.375Z (about 1 year ago)
• Language: C
• Size: 560 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README
  • License: LICENSE

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README

          
RingDecomposerLib 1.0

---------------------

RingDecomposerLib is a library for calculation of the

unique ring families and other cycle bases.

It is developed at the

University of Hamburg, ZBH - Center for Bioinformatics

by Niek Andresen, Florian Flachsenberg and Matthias Rarey.

The library is distributed under BSD New license,

see the file LICENSE and [BSD New]

(https://opensource.org/licenses/BSD-3-Clause). 

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 documentation for detailed installation

instructions.

The detailed documentation can be found in folder

`documentation` as HTML and PDF document.