Bugfix: bonds in RDKit - Githubissues

molssi-seamm / molsystem

Molsystem provides a general class for handling molecular and periodic systems

GNU Lesser General Public License v3.0

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Closed paulsaxe closed 4 months ago

paulsaxe commented 4 months ago

There was an indexing bug translating bonds back from RDKit to SEAMM. The famous 0/1 problem!