<?php include_once '/usr/local/lib/openbabel.php'; $obMol = new OBMol(); $obMol->NewAtom(); $numAtoms = $obMol->NumAtoms(); # now 1 atom $obMol->NewAtom(); $obMol->AddBond(1, 2, 1); $numBonds = $obMol->NumBonds(); # now 1 bond $obMol->Clear(); $obConversion = new OBConversion(); $obConversion->SetInAndOutFormats("smi", "svg"); $obConversion->ReadString($obMol, "C1=CC=CS1"); $numAtoms = $obMol->NumAtoms(); # now 5 atoms $obMol->AddHydrogens(); $numAtoms = $obMol->NumAtoms(); # now 9 atoms $outMDL = $obConversion->WriteString($obMol); echo $outMDL;