diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures index bdd5913440d34336adaebd622d86fde225936e74..6b0269a4f1b66278811c4625d2ebe88e5a36e6a8 100644 --- a/actions/ost-compare-structures +++ b/actions/ost-compare-structures @@ -316,9 +316,9 @@ def _ParseArgs(): dest="oum", default=False, action="store_true", - help=("Override USalign mapping and inject our own mapping. Only works " - "if external usalign executable is provided that is reasonably " - "new and contains that feature.")) + help=("Override USalign mapping and inject our own rigid mapping. Only " + "works if external usalign executable is provided that is " + "reasonably new and contains that feature.")) parser.add_argument( "--qs-score", diff --git a/modules/mol/alg/pymod/scoring.py b/modules/mol/alg/pymod/scoring.py index 368a269d47825b945e631646f642c337d9226ec6..4444e463709703042b6395da3c866804cd971237 100644 --- a/modules/mol/alg/pymod/scoring.py +++ b/modules/mol/alg/pymod/scoring.py @@ -147,9 +147,9 @@ class Scorer: A structure with stoichiometry A6B2 would be 6!*2! = 1440 etc. :type n_max_naive: :class:`int` - :param oum: Override USalign Mapping. Inject mapping of :class:`Scorer` - object into USalign to compute TM-score. Experimental feature - with limitations. + :param oum: Override USalign Mapping. Inject rigid_mapping of + :class:`Scorer` object into USalign to compute TM-score. + Experimental feature with limitations. :type oum: :class:`bool` :param min_pep_length: Relevant parameter if short peptides are involved in scoring. Minimum peptide length for a chain in the @@ -2479,7 +2479,7 @@ class Scorer: if self.usalign_exec is None: LogScript("Computing patch TM-score with USalign exectuable") if self.oum: - flat_mapping = self.mapping.GetFlatMapping() + flat_mapping = self.rigid_mapping.GetFlatMapping() LogInfo("Overriding TM-score chain mapping") res = res = bindings.WrappedMMAlign(self.model, self.target, mapping=flat_mapping) @@ -2489,7 +2489,7 @@ class Scorer: LogScript("Computing patch TM-score with built-in USalign") if self.oum: LogInfo("Overriding TM-score chain mapping") - flat_mapping = self.mapping.GetFlatMapping() + flat_mapping = self.rigid_mapping.GetFlatMapping() res = tmtools.USAlign(self.model, self.target, usalign = self.usalign_exec, custom_chain_mapping = flat_mapping)