Open Babel 1.100.2 -- Feb 22 2004 -- 16:13:48 Usage: babel [-i<input-type>] <name> [-o<output-type>] <name> Currently supported input types alc -- Alchemy file prep -- Amber PREP file bs -- Ball & Stick file caccrt -- Cacao Cartesian file ccc -- CCC file c3d1 -- Chem3D Cartesian 1 file c3d2 -- Chem3D Cartesian 2 file cml -- Chemical Markup Language file crk2d -- CRK2D: Chemical Resource Kit 2D file crk3d -- CRK3D: Chemical Resource Kit 3D file box -- Dock 3.5 Box file dmol -- DMol3 Coordinates file feat -- Feature file gam -- GAMESS Output file gamout -- GAMESS Output file gpr -- Ghemical Project file mm1gp -- Ghemical MM file qm1gp -- Ghemical QM file hin -- HyperChem HIN file jout -- Jaguar Output file bin -- OpenEye Binary file mmd -- MacroModel file mmod -- MacroModel file out -- MacroModel file dat -- MacroModel file car -- MSI Biosym/Insight II CAR file sdf -- MDL Isis SDF file sd -- MDL Isis SDF file mdl -- MDL Molfile file mol -- MDL Molfile file mopcrt -- MOPAC Cartesian file mopout -- MOPAC Output file mmads -- MMADS file mpqc -- MPQC file bgf -- MSI BGF file nwo -- NWChem Output file pdb -- PDB file ent -- PDB file pqs -- PQS file qcout -- Q-Chem Output file res -- ShelX file ins -- ShelX file smi -- SMILES file mol2 -- Sybyl Mol2 file unixyz -- UniChem XYZ file vmol -- ViewMol file xyz -- XYZ file Currently supported output types alc -- Alchemy file bs -- Ball & Stick file caccrt -- Cacao Cartesian file cacint -- Cacao Internal file cache -- CAChe MolStruct file c3d1 -- Chem3D Cartesian 1 file c3d2 -- Chem3D Cartesian 2 file ct -- ChemDraw Connection Table file cht -- Chemtool file cml -- Chemical Markup Language file crk2d -- CRK2D: Chemical Resource Kit 2D file crk3d -- CRK3D: Chemical Resource Kit 3D file cssr -- CSD CSSR file box -- Dock 3.5 Box file dmol -- DMol3 Coordinates file feat -- Feature file fh -- Fenske-Hall Z-Matrix file gamin -- GAMESS Input file inp -- GAMESS Input file gcart -- Gaussian Cartesian file gau -- Gaussian Input file gpr -- Ghemical Project file gr96a -- GROMOS96 (A) file gr96n -- GROMOS96 (nm) file hin -- HyperChem HIN file jin -- Jaguar Input file bin -- OpenEye Binary file mmd -- MacroModel file mmod -- MacroModel file out -- MacroModel file dat -- MacroModel file sdf -- MDL Isis SDF file sd -- MDL Isis SDF file mdl -- MDL Molfile file mol -- MDL Molfile file mopcrt -- MOPAC Cartesian file mmads -- MMADS file bgf -- MSI BGF file csr -- MSI Quanta CSR file nw -- NWChem Input file pdb -- PDB file ent -- PDB file pov -- POV-Ray Output file pqs -- PQS file report -- Report file qcin -- Q-Chem Input file smi -- SMILES file fix -- SMILES Fix file mol2 -- Sybyl Mol2 file txyz -- Tinker XYZ file txt -- Titles file unixyz -- UniChem XYZ file vmol -- ViewMol file xed -- XED file xyz -- XYZ file zin -- ZINDO Input file Additional options : -f <#> Start import at molecule # specified -l <#> End import at molecule # specified -d Delete Hydrogens -h Add Hydrogens -hpH Add Hydrogens appropriate for pH (use transforms in phmodel.txt) -c Center Coordinates -x[flags] XML.CML options (e.g. -x1ac) 1 output CML V1.0 (default) 2 output CML V2.0 (Schema) a output array format for atoms and bonds (default <atom>) p prettyprint output (not implemented) n output namespace (default no namespace) c use 'cml' as output namespace prefix (else default) (forces n) d output DOCTYPE (default none) g debug output v add XML version (declaration) Report Bugs to openbabel-discuss@lists.sourceforge.net.