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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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Closed cleberecht closed 7 years ago

cleberecht commented 7 years ago

If the same ligand / modified leaf is occurring multiple times in a pdb structure or inside of a batch parse, they should not be parsed again and again.

cleberecht commented 7 years ago

since 200f070 working for single files with multiple identical ligands

cleberecht commented 7 years ago

fully implemented in 451ec1c