sadasdasddsfdsfsdf
authorMax <Infinity2573@gmail.com>
Sun, 25 Sep 2022 12:55:46 +0000 (15:55 +0300)
committerMax <Infinity2573@gmail.com>
Sun, 25 Sep 2022 12:55:46 +0000 (15:55 +0300)
src/dssptools.cpp

index f12a285a3eb1fbe10a1071705c6a17438fda3608..512459a0788c859b7340c167044083d1df521848 100644 (file)
@@ -680,6 +680,10 @@ void DsspTool::calculateHBondEnergy(ResInfo& Donor,
 
            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)