public static OBMol conformersearch(OBMol mol, int steps)
{
bool cut = false;
bool newton = false;
bool hydrogens = true;
double rvdw = 6.0;
double rele = 10.0;
int freq = 10;
OBForceField rotsearch = OBForceField.FindForceField("MMFF94");
rotsearch.Setup(mol);
rotsearch.SetVDWCutOff(rvdw);
rotsearch.SetElectrostaticCutOff(rele);
rotsearch.SetUpdateFrequency(freq);
rotsearch.EnableCutOff(cut);
rotsearch.RandomRotorSearch((uint)steps);
//rotsearch.WeightedRotorSearch(3,10);//this is very computationally expensive
rotsearch.GetCoordinates(mol);
return(mol);
}