Thank you for the pointers, Paul. Ling
Paul Emsley <pems...@mrc-lmb.cam.ac.uk> 於 2021年3月12日週五 上午10:12寫道： > > On 12/03/2021 05:11, Ling Chan wrote: > > > > > > Just wonder if there is any function to distinguish between a chair > > ring and a boat ring? > > > > Don't worry if there is no such utility. I can write my own geometry > > detection. Just that I don't want to reinvent the wheel. > > > > Isn't this Cremer Pople? > > http://enzyme13.bt.a.u-tokyo.ac.jp/CP/ > > https://smb.slac.stanford.edu/facilities/software/ccp4/html/privateer.html > > > Paul. > > > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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