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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 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

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.

				  June 23, 2003 		    OPENBABEL(1)
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