Ligands created from LeafSkeletons should be automatically annotated as hetero atom

singa-bio / singa

:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.

MIT License

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Ligands created from LeafSkeletons should be automatically annotated as hetero atom #79

Closed fkaiserbio closed 6 years ago

fkaiserbio commented 6 years ago

when parsing a LeafSkeleton and creating a Ligand, this is not annotated as hetero atom
hetero atom should be the default behavior

cleberecht commented 6 years ago

implemented in 21c81a7