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qsscore: distinguish between QS_global and QS_best
QS_global is the "original" QS-score, whereas QS_best only considers residue that are actually mapped, i.e. does not punish if one structure has an additional chain or more residues in one of the chains.
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- modules/mol/alg/pymod/chain_mapping.py 25 additions, 40 deletionsmodules/mol/alg/pymod/chain_mapping.py
- modules/mol/alg/pymod/qsscore.py 185 additions, 79 deletionsmodules/mol/alg/pymod/qsscore.py
- modules/mol/alg/tests/test_qsscore.py 95 additions, 22 deletionsmodules/mol/alg/tests/test_qsscore.py
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