{
HbondEnergy = minEnergy;
- std::cout << "HBOND exists cause of distance" << std::endl;
+// std::cout << "HBOND exists cause of distance" << std::endl;
}
else
{
HbondEnergy = minEnergy;
}
- if ( HbondEnergy < -0.5 ){
- std::cout << "HBOND exists cause of energy" << std::endl;
- }
+// if ( HbondEnergy < -0.5 ){
+// std::cout << "HBOND exists cause of energy" << std::endl; // NOT working in original DSSP
+// }
}
}
}
+ for(std::size_t i {0}; i < IndexMap.size(); ++i){
+ std::cout << i << " " << IndexMap[i].info->name << std::endl;
+ }
+
PatternSearch.initiateSearch(IndexMap, initParams.PPHelices);
calculateBends(fr, pbc);
Storage.storageData(frnr, PatternSearch.patternSearch());