#include "oesystem.h"
#include "oechem.h"


using namespace OESystem;
using namespace OEChem;

void GetGoodMol(OEMCMolBase &destination,const OEMCMolBase &source)
{
  destination.DeleteConfs();
  OEConfBase *newConf;
  char buf[2048];

  OEIter<OEConfBase> conf;
  for(conf = source.GetConfs();conf;++conf)
  {
    if(conf->GetEnergy() < -15.5f)
    {
      newConf = destination.NewConf(conf);
      sprintf(buf,"Low Energy Conformer: energy = %.3f",newConf->GetEnergy());
      newConf->SetTitle(buf);
    }
  }
}

int main()
{
  OEMol mol;
  OEMol goodmol;
  
  oemolistream mis("input.oeb");
  oemolostream mos("output.sdf");

  while(OEReadMolecule(mis,mol))
  {
    GetGoodMol(goodmol,mol);
    OEWriteMolecule(mos,goodmol);
  }

  return 0;
}