Extra rules when CC happen to be of the same size - Githubissues

UCL-CCS / TIES

Topology Superimposition based on joint graph traversal

MIT License

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Extra rules when CC happen to be of the same size #258

Closed bieniekmateusz closed 3 years ago

bieniekmateusz commented 3 years ago

four rules for cc of equal values

largest number of heavy atoms
largest number of rings
largest number of heavy atoms across rings