#include "oechem.h" #include using namespace OEChem; using namespace OESystem; using namespace std; int main() { OEIter mol; OEIter conf; oemolistream ims; for (mol=ims.GetMCMolBases(); mol; ++mol) { for(conf = mol->GetConfs(); conf; ++conf) { cerr << conf->GetTitle() << ": Energy = " << conf->GetEnergy() << endl; } } return 0; }