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 ) 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)