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OPENBABEL(1)		    General Commands Manual		  OPENBABEL(1)

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 for-
       mats 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

AUTHOR
       Open Babel is derived from OElib, written by Matt  Stahl,  which	 is  a
       rewrite	of  the	 classic  babel	program. Open Babel is currently main-
       tained by Geoff Hutchison and Michael Banck.

				 June 23, 2003			  OPENBABEL(1)

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