babel -H
Open Babel 1.100.1 -- Jul 27 2003 -- 19:41:53
Usage: babel [-i] [-o]
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
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
qcout -- Q-Chem Output file
res -- 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
cml -- Chemical Markup Language 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
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 (default no indent)
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