From 3659bf9d0749c9b1c75dba3ef28277f01f69abce Mon Sep 17 00:00:00 2001 From: Gerardo Tauriello <gerardo.tauriello@unibas.ch> Date: Wed, 28 Nov 2018 17:31:47 +0100 Subject: [PATCH] Clarify lDDT vs QS and chain-penalty. --- modules/doc/actions.rst | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/modules/doc/actions.rst b/modules/doc/actions.rst index 9609642ff..ccda8476e 100644 --- a/modules/doc/actions.rst +++ b/modules/doc/actions.rst @@ -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 :: -- GitLab