diff --git a/modules/mol/base/src/bounding_box.cc b/modules/mol/base/src/bounding_box.cc index 4b3e46d357c88ec38e84207da2dcf20fabc35d17..4b70f78172ecdfde25af3d612944823423b46138 100644 --- a/modules/mol/base/src/bounding_box.cc +++ b/modules/mol/base/src/bounding_box.cc @@ -36,7 +36,7 @@ public: PrincipalAxisCalc(const EntityHandle& ent): natoms_(ent.GetAtomCount()) { - mean_=ent.GetBounds().GetCenter(); + mean_=ent.GetCenterOfAtoms(); cov_.setZero(); } PrincipalAxisCalc(const AtomHandleList& atoms): @@ -55,7 +55,7 @@ public: PrincipalAxisCalc(const EntityView& ent): natoms_(ent.GetAtomCount()) { - mean_=ent.GetBounds().GetCenter(); + mean_=ent.GetCenterOfAtoms(); cov_.setZero(); } virtual bool VisitAtom(const AtomHandle& atom)