diff --git a/modules/mol/alg/src/ldt.cc b/modules/mol/alg/src/ldt.cc index abb23ee6317d4c38d998d479aba38fbc518ca7a8..6a3db1c9eb23285eba281df77e44d493b54792de 100644 --- a/modules/mol/alg/src/ldt.cc +++ b/modules/mol/alg/src/ldt.cc @@ -248,7 +248,7 @@ int main (int argc, char **argv) if (vm.count("calpha")) { profile.calpha_only=true; } - if (vm.count("filter-clashes")) { + if (vm.count("structural-checks")) { structural_checks=true; } if (vm.count("tolerant")) { @@ -320,7 +320,8 @@ int main (int argc, char **argv) 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("LDT INFO FORMAT:" << " " << "Chain1" << " " << "Residue1" << " " << "ResNum1" << " " << "Atom1" << " " << "Chain2" << " " << "Residue2" << " " << "ResNum2" << " " << "Atom2" << " " << "Min" << " " << "ModelDist" << " " << "TargetDist" << " " << "Difference" << " " << "Tolerance" + << " " << "Status"); } for (size_t i=0; i<files.size(); ++i) { EntityHandle model=load(files[i], profile);