From c9a13edf804592a0bcb41ecb70a2e0084dc1a09d Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Fri, 12 Aug 2016 09:07:07 +0200 Subject: [PATCH] bugfix --- modelling/pymod/_pipeline.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/modelling/pymod/_pipeline.py b/modelling/pymod/_pipeline.py index 3dc87809..f8fea315 100644 --- a/modelling/pymod/_pipeline.py +++ b/modelling/pymod/_pipeline.py @@ -209,7 +209,7 @@ def BuildSidechains(mhandle, merge_distance=4, fragment_db=None, mygap = StructuralGap(res.prev, res.next, res.one_letter_code) mhandle.gaps.append(mygap) # load stuff if needed - if not IsBackboneScorerSet(mhandle) or not IsBackboneScorerSet(mhandle): + if not IsBackboneScorerSet(mhandle) or not IsBackboneScorerEnvSet(mhandle): SetupDefaultBackboneScorer(mhandle) if fragment_db is None: fragment_db = loop.LoadFragDB() @@ -455,7 +455,7 @@ def BuildFromRawModel(mhandle, use_amber_ff=False, extra_force_fields=list()): torsion_sampler = loop.LoadTorsionSamplerCoil() merge_distance = 4 - if IsBackboneScorerSet(mhandle) and IsBackboneScorerSet(mhandle): + if IsBackboneScorerSet(mhandle) and IsBackboneScorerEnvSet(mhandle): ost.LogInfo("Using scorer which is already set in modelling handle.") else: SetupDefaultBackboneScorer(mhandle) -- GitLab