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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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merge possible duplicates of chemical entities #9

Closed cleberecht closed 6 years ago

cleberecht commented 8 years ago

When setting up a new simulation system some chemical entities might be duplicated, because different reactions reference different entities that are basically the same. E.g. Glucose and D-Glucose. The user should be allowed to semi automatically combine those entities, by getting a list of potential duplicates and choosing merge? yes/no.

cleberecht commented 6 years ago

This should be implemented for the singa-simulation-gui, for the singa-core modules this is obsolete.