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schwede
openstructure
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3659bf9d
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3659bf9d
authored
6 years ago
by
Gerardo Tauriello
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Clarify lDDT vs QS and chain-penalty.
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modules/doc/actions.rst
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@@ -38,6 +38,12 @@ In summary it performs the following steps:
:class:`single chain lDDT scores <ost.mol.alg.lDDTScorer>`,
:attr:`weighted average of single chain lDDT scores <ost.mol.alg.qsscoring.OligoLDDTScorer.weighted_lddt>`,
:attr:`lDDT score of oligomer <ost.mol.alg.qsscoring.OligoLDDTScorer.oligo_lddt>`).
Note that while the QS score is symmetric (same result when swapping reference
and model), the lDDT scores are not. Extra atoms in the model for mapped
chains have no effect on the score, while extra atoms in the reference reduce
the score. For the oligomeric variants (weighted-lDDT & oligo-lDDT), we do
:attr:`penalize for extra chains <ost.mol.alg.qsscoring.OligoLDDTScorer.penalize_extra_chains>`
in both reference and model.
.. note ::
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