diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 5883b029f216d5f9e9884214639f95724701fd72..85190fe114adc9096ffc8d30bba01af95dc5a48b 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -21,7 +21,7 @@ class LigandScorer: At the moment, two scores are available: * lDDT-PLI, that looks at the conservation of protein-ligand contacts - with :func:`lDDT <ost.mol.alg.LocalDistDiffTest>`. + with :class:`lDDT <ost.mol.alg.lddt.lDDTScorer>`. * Binding-site superposed, symmetry-corrected RMSD that assesses the accuracy of the ligand pose. @@ -30,11 +30,11 @@ class LigandScorer: of model and target ligands, as described in (Manuscript in preparation). Results are available as matrices (`(lddt_pli|rmsd)_matrix`), where every - target-model score is reported in a matrix, or as `(lddt_pli|rmsd)` where + target-model score is reported in a matrix; as `(lddt_pli|rmsd)` where a model-target assignment has been determined, starting from the "best" possible mapping and using each target and model ligand in a single - assignment, and the results are reported in a dictionary. In addition, - (`(lddt_pli|rmsd)_details`) methods are available with additional details + assignment, and the results are reported in a dictionary; and as + (`(lddt_pli|rmsd)_details`) methods, which report additional details about different aspects of the scoring such as chain mapping. The class generally assumes that the