implement Kuhn-Munkres algorithm to find ideal alignment

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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implement Kuhn-Munkres algorithm to find ideal alignment #71

Closed fkaiserbio closed 7 years ago

fkaiserbio commented 7 years ago

implement Kuhn-Munkres algorithm (hungarian method) to find the ideal alignment for a candidate against a reference substructure
as done for e.g. eMatchSite (10.1371/journal.pcbi.1003829)
could significantly improve Fit3D performance for larger motifs