On 22 August 2012 11:50, John May <john.wilkinsonmay@gmail.com> wrote:
Hi All,

Is there currently a class to identify if an atom is in a ring? I don't need all rings (AllRingsFinder) but a simple breath first search that will return true as soon as a ring is detected.

It means I can quickly (hopefully) tell that a bond/atom is in a ring in complex structures: http://www.ebi.ac.uk/chebi/advancedSearchFT.do?searchString=CHEBI%3A33128&submit=Search+ChEBI&queryBean.stars=3&queryBean.stars=-1 


Eventually the SpanningTree class. It was invented to detect which bonds are cyclic (i.e. if a bond is in a ring system). 

Regards,
Nina
 
J



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