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babel-1.6
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Makefile,
README.1ST,
addh.c,
addh2.c,
aromatic.c,
assbnd.c,
asstypes.c,
babel.h,
bblmacs.h,
bblmast.h,
bbltyp.h,
block.c,
bndord.c,
bo.c,
buildct.c,
combine.c,
convert.c,
delatms.c,
delh2o.c,
element.lis,
filesrch.c,
fileutil.c,
gastchg.c,
gauss.hdr,
htoend.c,
int2cart.c,
intcart.c,
menus.c,
miniums.c,
molwt.c,
new.lis,
nodummy.c,
orient.c,
precip.c,
printbad.c,
progress.c,
psgvb.hdr,
quanta.lis,
rdalch.c,
rdampout.c,
rdbalst.c,
rdbgf.c,
rdboogie.c,
rdc3d.c,
rdcacao.c,
rdcadpac.c,
rdcharmm.c,
rdcsd.c,
rddock.c,
rddpdb.c,
rdelmnts.c,
rdfdat.c,
rdfeat.c,
rdfract.c,
rdg96.c,
rdgamout.c,
rdgauout.c,
rdgzmat.c,
rdhin.c,
rdinsite.c,
rdint.c,
rdirc.c,
rdisis.c,
rdm3d.c,
rdmacmod.c,
rdmacmol.c,
rdmdl.c,
rdmicro.c,
rdmm2.c,
rdmm2in.c,
rdmm3.c,
rdmolen.c,
rdmopac.c,
rdmopcrt.c,
rdpcmod.c,
rdpdb.c,
rdprep.c,
rdpsgout.c,
rdpsgvin.c,
rdquanta.c,
rdschak.c,
rdshelx.c,
rdsmiles.c,
rdspart.c,
rdspmm.c,
rdspsemi.c,
rdsybmol.c,
rdsybyl.c,
rdtypes.c,
rdunichm.c,
rdwiz.c,
rdxed.c,
rdxyz.c,
renum.c,
report.c,
rings.c,
ringutil.c,
sets.c,
smilesto.c,
spline.c,
strngutl.c,
tokenst.c,
tosmiles.c,
tree.c,
typbybo.c,
types.lis,
umslist.c,
utils.c,
vectors.c,
wralch.c,
wrbalst.c,
wrbgf.c,
wrbmin.c,
wrbox.c,
wrc3d.c,
wrcacao.c,
wrcache.c,
wrcacint.c,
wrchdrw.c,
wrcontmp.c,
wrcsr.c,
wrcssr.c,
wrdock.c,
wrdpdb.c,
wrfeat.c,
wrfh.c,
wrg96.c,
wrgamess.c,
wrgau.c,
wrgaucrt.c,
wrhin.c,
wricon.c,
wrint.c,
wrisis.c,
wrm3d.c,
wrmaccs.c,
wrmacmod.c,
wrmcmol.c,
wrmdl.c,
wrmicro.c,
wrmimic.c,
wrmiv.c,
wrmm2.c,
wrmm3.c,
wrmopac.c,
wrpcmod.c,
wrpdb.c,
wrpsgv.c,
wrpsgvz.c,
wrsmiles.c,
wrspart.c,
wrsybmol.c,
wrsybyl.c,
wrtinker.c,
wrtorlst.c,
wrunichm.c,
wrwiz.c,
wrxed.c,
wrxyz.c
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static babel_rec master[] =
{
{none,"No name","xx",noaction,NULL},
{alchemy,"Alchemy","alc",input,read_alchemy},
{amber_prep,"AMBER PREP","prep",input,read_amber_prep},
{ball_and_stick,"Ball and Stick","bs",input,read_bs},
{bgf,"MSI BGF","bgf",input,read_bgf},
{biosym_car,"Biosym .CAR","car",input,read_biosym_car},
{boogie,"Boogie","boog",input,read_boogie},
{caccrt,"Cacao Cartesian","caccrt",input,read_caccrt},
{cadpac,"Cambridge CADPAC","cadpac",input,read_cadpac},
{charmm,"CHARMm","charmm",input,read_charmm},
{chem3d1,"Chem3D Cartesian 1","c3d1",input,read_chem3d1},
{chem3d2,"Chem3D Cartesian 2","c3d2",input,read_chem3d2},
{csd_cssr,"CSD CSSR","cssr",input,read_csd_fractional},
{csd_fdat,"CSD FDAT","fdat",input,read_fdat},
{csd_gstat,"CSD GSTAT","gstat",input,read_csd},
{dock,"Dock Database","dock",input,read_dock_database},
{dock_pdb,"Dock PDB","dpdb",input,read_dock_pdb},
{feature, "Feature","feat",input,read_feat},
{free_fract,"Free Form Fractional","fract",input,read_fform_fract},
{gamess_output,"GAMESS Output","gamout",input,read_gamess_output},
{gaussian_input,"Gaussian Z-Matrix","gzmat",input,read_gau_zmatrix},
{gaussian_output,"Gaussian 92 Output","gauout",input,read_gau_out},
{gaussian_94,"Gaussian 94 Output","g94",input,read_gaussian_94},
{gr96A,"GROMOS96 (A)","gr96A",input,read_gr96A},
{gr96N,"GROMOS96 (nm)","gr96N",input,read_gr96N},
{hyperchem_hin,"Hyperchem HIN","hin",input,read_hin},
{isis,"MDL Isis SDF","sdf",input,read_isis},
{m3d,"M3D","m3d",input,read_m3d},
{mac_molecule,"Mac Molecule","macmol",input,read_mcmol},
{macromodel,"Macromodel","macmod",input,read_macromodel},
{micro_world,"Micro World","micro",input,read_micro},
{mm2_input,"MM2 Input","mm2in",input,read_mm2_input},
{mm2_output,"MM2 Output","mm2out",input,read_mm2},
{mm3,"MM3","mm3",input,read_mm3},
{mmads,"MMADS","mmads",input,read_mmads},
{molfile,"MDL MOLfile","mdl",input,read_mdl},
{molin,"MOLIN","molen",input,read_molin},
{mopac_cartesian,"Mopac Cartesian","mopcrt",input,read_mop_cart},
{mopac_internal,"Mopac Internal","mopint",input,read_mopint},
{mopac_output,"Mopac Output","mopout",input,read_mopac_output},
{pcmodel,"PC Model","pcmod",input,read_pcmodel},
{pdb,"PDB","pdb",input,read_pdb},
{psgvb_input,"PS-GVB Input","psin",input,read_psgvb_input},
{psgvb_output,"PS-GVB Output","psout",input,read_psgvb_output},
{quanta,"Quanta MSF","msf",input,read_quanta},
{schakal,"Schakal","schakal",input,read_schakal},
{shelx,"ShelX","shelx",input,read_shelx},
{smiles,"SMILES","smiles",input,read_smiles},
{spartan,"Spartan","spar",input,read_spartan},
{spart_semi,"Spartan Semi-Empirical","semi",input,read_spartan_semiempirical},
{spart_mm,"Spartan Mol. Mechanics","spmm",input,read_spartan_mol_mech},
{sybyl_mol,"Sybyl Mol","mol",input,read_sybyl_mol},
{sybyl_mol2,"Sybyl Mol2","mol2",input,read_sybyl},
{wizard,"Conjure","wiz",input,read_wizard},
{unixyz,"UniChem XYZ","unixyz",input,read_unichem},
{xyz,"XYZ","xyz",input,read_xyz},
{xed,"XED","xed",input,read_xed},
{diagnostics,"DIAGNOTICS","diag",output,output_all_formats},
{alchemy,"Alchemy","alc",output,write_alchemy},
{ball_and_stick,"Ball and Stick","bs",output,write_bs},
{bgf,"BGF","bgf",output,write_bgf},
{bmin_com,"Batchmin Command","bmin",output,write_bmin_com},
{box,"DOCK 3.5 box","box",output,write_box},
{caccrt,"Cacao Cartesian","caccrt",output,write_caccrt},
{cacao_int,"Cacao Internal","cacint",output,write_cacao_internal},
{cache_out,"CAChe MolStruct","cache",output,write_cache},
{chem3d1,"Chem3D Cartesian 1","c3d1",output,write_chem3d1},
{chem3d2,"Chem3D Cartesian 2","c3d2",output,write_chem3d2},
{chemdraw,"ChemDraw Conn. Table","cdct",output,write_chem_draw},
{dock,"Dock Database","dock",output,write_dock},
{wizard,"Wizard","wiz",output,write_wizard},
{conjure_tmplt,"Conjure Template","contmp",output,write_conjure_tmplt},
{csd_cssr,"CSD CSSR","cssr",output,write_cssr},
{dock_pdb,"Dock PDB","dpdb",output,write_dock_pdb},
{feature, "Feature","feat",output,write_feat},
{fenske_zmat,"Fenske-Hall ZMatrix","fhz",output,write_fenske_zmat},
{gamess_input,"Gamess Input","gamin",output,write_gamess_input},
{gaussian_cart,"Gaussian Cartesian","gcart",output,write_gaus_crt},
{gaussian_input,"Gaussian Z-matrix","gzmat",output,write_gaussian},
{gaussian_template,"Gaussian Z-matrix tmplt","gotmp",output,write_gaussian_template},
{gr96A,"GROMOS96 (A)","gr96A",output,write_gr96A},
{gr96N,"GROMOS96 (nm)","gr96N",output,write_gr96N},
{hyperchem_hin,"Hyperchem HIN","hin",output,write_hin},
{icon8,"Icon 8","icon",output,write_icon8},
{idatm,"IDATM","idatm",output,write_idatm},
{isis,"MDL Isis SDF","sdf",output,write_isis},
{m3d,"M3D","m3d",output,write_m3d},
{mac_molecule,"Mac Molecule","macmol",output,write_mcmol},
{macromodel,"Macromodel","macmod",output,write_macromodel},
{micro_world,"Micro World","micro",output,write_micro},
{mm2_input,"MM2 Input","mm2in",output,write_mm2_input},
{mm2_output,"MM2 Ouput","mm2out",output,write_mm2},
{mm3,"MM3","mm3",output,write_mm3},
{mmads,"MMADS","mmads",output,write_mmads},
{molfile,"MDL Molfile","mdl",output,write_molfile},
{mol_inventor,"MolInventor","miv",output,write_mol_inventor},
{mopac_cartesian,"Mopac Cartesian","mopcrt",output,write_mopac},
{mopac_internal,"Mopac Internal","mopint",output,write_mopac_internal},
{csr,"MSI Quanta CSR","csr",output,write_csr},
{pcmodel,"PC Model","pcmod",output,write_pcmod},
{pdb,"PDB","pdb",output,write_pdb},
{psgvb_zmat,"PS-GVB Z-Matrix","psz",output,write_psgvb_zmat},
{psgvb_cart,"PS-GVB Cartesian","psc",output,write_psgvb_cart},
{report,"Report","report",output,print_report_file},
{smiles,"SMILES","smiles",output,write_smiles},
{spartan,"Spartan","spar",output,write_spartan},
{sybyl_mol,"Sybyl Mol","mol",output,write_sybyl_mol},
{sybyl_mol2,"Sybyl Mol2","mol2",output,write_sybyl},
{maccs,"MDL Maccs","maccs",output,write_maccs},
{torlist,"Torsion List","torlist",output,print_torsion_list},
{tinker,"Tinker XYZ","tinker",output,write_tinker},
{unixyz,"UniChem XYZ","unixyz",output,write_unichem},
{xyz,"XYZ","xyz",output,write_xyz},
{xed,"XED","xed",output,write_xed,},
};
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