std::cout << "CA-CA distance: " << CalculateAtomicDistances(
Donor.getIndex(backboneAtomTypes::AtomCA), Acceptor.getIndex(backboneAtomTypes::AtomCA), fr, pbc) << std::endl;
+ std::cout << "N-O distance: " << distanceNO << std::endl;
+ std::cout << "N-C distance: " << distanceNC << std::endl;
+ std::cout << "H-O distance: " << distanceHO << std::endl;
+ std::cout << "H-C distance: " << distanceHC << std::endl;
if (CalculateAtomicDistances(
Donor.getIndex(backboneAtomTypes::AtomCA), Acceptor.getIndex(backboneAtomTypes::AtomCA), fr, pbc)