diff --git a/modules/mol/alg/src/ldt.cc b/modules/mol/alg/src/ldt.cc index a89e294b5b00843b8459721cd3a057128de29046..1a565d2d4fbb9c247e4c3716baf9bf99421a9228 100644 --- a/modules/mol/alg/src/ldt.cc +++ b/modules/mol/alg/src/ldt.cc @@ -151,6 +151,10 @@ int main (int argc, char **argv) exit(-1); } } + + if (verbosity_level>0) { + LOG_INFO("LDT INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 Min ModelDist TargetDist Difference Tolerance Status"); + } if (vm.count("bond_tolerance")) { bond_tolerance=vm["bond_tolerance"].as<Real>(); @@ -183,8 +187,8 @@ int main (int argc, char **argv) LOG_INFO("Log entries format:"); LOG_INFO("BOND INFO FORMAT: Chain Residue ResNum Bond Min Max Observed Z-score Status"); LOG_INFO("ANGLE INFO FORMAT: Chain Residue ResNum Angle Min Max Observed Z-score Status"); - LOG_INFO("CLASH INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 Min Observed Difference Status"); - LOG_INFO("LDT INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 Min ModelDist TargetDist Difference Tolerance Status"); + LOG_INFO("CLASH INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 Observed Difference Status"); + LOG_INFO("LDT INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 ModelDist TargetDist Difference Tolerance Status"); } for (size_t i=0; i<files.size(); ++i) { EntityHandle model=load(files[i], profile); diff --git a/modules/mol/alg/src/local_dist_test.cc b/modules/mol/alg/src/local_dist_test.cc index f9a4671039afe2836534210738353d815aa7e6f5..6e09088c7fb4ba0e4e8e8d24dbf7a135086497aa 100644 --- a/modules/mol/alg/src/local_dist_test.cc +++ b/modules/mol/alg/src/local_dist_test.cc @@ -106,15 +106,15 @@ std::pair<Real, Real> calc_overlap1(ResidueView ref_res, Real mdl_dist=geom::Length(av1.GetPos()-av2.GetPos()); Real ref_dist=geom::Length(ai->GetPos()-aj->GetPos()); if (std::abs(mdl_dist-ref_dist)<tol) { - LOG_VERBOSE("CLASH:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName() - << " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetNumber() << " " << av2.GetResidue().GetName() << " " << av2.GetName() << " " + LOG_VERBOSE("LDT:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName() + << " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetName() << " " << av2.GetResidue().GetNumber() << " " << av2.GetName() << " " << mdl_dist << " " << ref_dist << " " << mdl_dist-ref_dist << " " << tol << " " << "PASS") overlap.first+=1; overlap_list[ref_res.GetIndex()].first+=1.0; overlap_list[aj->GetResidue().GetIndex()].first+=1.0; } else { - LOG_INFO("CLASH:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName() - << " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetNumber() << " " << av2.GetResidue().GetName() << " " << av2.GetName() << " " + LOG_VERBOSE("LDT:" << " " << av1.GetResidue().GetChain() << " " << av1.GetResidue().GetName() << " " << av1.GetResidue().GetNumber() << " " << av1.GetName() + << " " << av2.GetResidue().GetChain() << " " << av2.GetResidue().GetName() << " " << av2.GetResidue().GetNumber() << " " << av2.GetName() << " " << mdl_dist << " " << ref_dist << " " << mdl_dist-ref_dist << " " << tol << " " << "FAIL") } }