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singa
:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.
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parse PDB ligand code based on InChI Key
#66
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fkaiserbio
closed
5 years ago
fkaiserbio
commented
7 years ago
allow automatic retrieval of PDB ligand identifier via unique InChI Key