From b89846dc068454a267754c6371822c28203e6b6f Mon Sep 17 00:00:00 2001 From: Valerio Mariani <valerio.mariani@unibas.ch> Date: Wed, 4 Jan 2012 14:42:35 +0100 Subject: [PATCH] Fixed a small bug in the structural_check flag --- modules/mol/alg/src/ldt.cc | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/modules/mol/alg/src/ldt.cc b/modules/mol/alg/src/ldt.cc index abb23ee63..6a3db1c9e 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); -- GitLab