diff --git a/CHANGELOG.txt b/CHANGELOG.txt index 1fbce23648212c90ee0f65b8674d4fdfccbac73c..9494af628ba0e22ad59d59b882edb1c1822f596e 100644 --- a/CHANGELOG.txt +++ b/CHANGELOG.txt @@ -1,3 +1,8 @@ +Changes in Release 2.x + + * Use the newer voronota implementation as default in CAD-score binding + * Several minor bug fixes and improvements. + Changes in Release 2.0.0 -------------------------------------------------------------------------------- diff --git a/modules/bindings/pymod/cadscore.py b/modules/bindings/pymod/cadscore.py index 5d931b04fc865c3f28264de4f5fe9be944ebd741..7ecf79874e65ae912f5b4e189f7a6e61e8edade2 100644 --- a/modules/bindings/pymod/cadscore.py +++ b/modules/bindings/pymod/cadscore.py @@ -263,7 +263,7 @@ def _MapLabels(model, cad_results, label): "could not be found in model.") r.SetFloatProp(label, v) -def CADScore(model, reference, mode = "classic", label = "localcad", +def CADScore(model, reference, mode = "voronota", label = "localcad", old_regime = False, cad_bin_path = None): """ Calculates global and local atom-atom (AA) CAD Scores.