CCL: About the software to calculate Ring Puckering parameters



Cremer’s own Ring Puckering program used to be available from this site: https://sites.smu.edu/dedman/catco/ring-puckering.html 
Instruction are still there, but the link to the code seems broken. I would suggest reaching out to Elfi Kraka.

We published an article earlier this year analyzing ring puckering motifs with Lucian Chan and Garrett Morris of Oxford (https://doi.org/10.1021/acs.jcim.0c01144 - Open Access)

The Python code is available on GitHub:
https://github.com/lucianlschan/RING/blob/master/Ring_Analysis.py

Obviously, if it's useful in a paper, we'd appreciate a citation. :-)

Cheers,
-Geoff

---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
twitter: :-:ghutchis