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    4ac2e408
    refactor rigid scoring - introduce GDT implementation similar to LGA · 4ac2e408
    Studer Gabriel authored
    The Scorer object provides two mappings. The default mapping which is
    QS-score based and the rigid_mapping which is RMSD based.
    The rigid_mapping is now the basis for global superposition based
    scores such as RMSD and GDT. And here's the thing, OpenStructure got
    a brand new GDT implementation! Scanning of best possible superpositions
    is a bit simpler than in LGA but the results are similar.
    Benchmarking against CASP15 TS models returns GDT_TS score where 99.2%
    are within 3 GDT points with the LGA results and the maximum observed
    difference is 7.39. There is a tendency for slightly lower scores in
    OpenStructure meaning LGA sometimes found better superpositions.
    
    BUT: Oligo/RNA support comes for free in the Scorer object!
    4ac2e408
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    refactor rigid scoring - introduce GDT implementation similar to LGA
    Studer Gabriel authored
    The Scorer object provides two mappings. The default mapping which is
    QS-score based and the rigid_mapping which is RMSD based.
    The rigid_mapping is now the basis for global superposition based
    scores such as RMSD and GDT. And here's the thing, OpenStructure got
    a brand new GDT implementation! Scanning of best possible superpositions
    is a bit simpler than in LGA but the results are similar.
    Benchmarking against CASP15 TS models returns GDT_TS score where 99.2%
    are within 3 GDT points with the LGA results and the maximum observed
    difference is 7.39. There is a tendency for slightly lower scores in
    OpenStructure meaning LGA sometimes found better superpositions.
    
    BUT: Oligo/RNA support comes for free in the Scorer object!