OPENBABEL (1) manpage
NAME Open Babel - a converter for molecular modeling data files
SYNOPSIS babel [-i<input-type>] <infile> [-o<output-type>] <outfile> DESCRIPTION Open Babel is a program designed to interconvert a number of file formats
currently used in molecular modeling software.
OPTIONS If only input and ouput files are given, Open Babel will guess the file type
from the filename extension.
-c Center molecule
-d Delete hydrogens
-f <number> Start importing at molecule number specified
-h Add hydrogens
-hpH Add hydrogens appropriate for pH
-i Specifies input format, see below for the available formats
-l <number> End importing at molecule number specified
-o Specifies output format, see below for the available formats
INPUT FORMATS Open Babel recognizes the following input formats:
alc -- Alchemy file
prep -- AMBER PREP file
bs -- Ball and 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 -- QChem Output file
res -- ShelX file
smi -- SMILES file
mol2 -- Sybyl Mol2 file
unixyz -- UniChem XYZ file
vmol -- ViewMol file
xyz -- XYZ file
OUTPUT FORMATS The following output formats may be written by
Open Babel: 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 -- QChem 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
".SH EXAMPLES
"To convert an MM2 output file named mm2.grf to a MOPAC internal coordinate
"input file named mopac.dat
AUTHOR Open Babel is derived from OElib, written by Matt Stahl, which is a rewrite of
the classic babel program. Open Babel is currently maintained by Geoff Hutchison
and Michael Banck.