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############################################################################## |
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# # |
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# Open Babel file: extable.txt # |
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# # |
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# Copyright (c) 1998-2001 by OpenEye Scientific Software, Inc. # |
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# Some portions Copyright (c) 2001-2003 by Geoffrey R. Hutchison # |
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# Part of the Open Babel package, under the GNU General Public License (GPL)# |
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# # |
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# This file is deprecated in version 2.0 by dynamic file format modules # |
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# # |
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# Columns represent: (used by data.cpp:OBExtensionTable) # |
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# - file extension (e.g. *.mol2) # |
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# - internal type code (used by data.cpp::TextToType() method) # |
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# - text description of file type # |
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# - MIME type associated with file type (or "none" if not yet assigned) # |
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# - Readability (i.e. 1 if a ReadFoo() method exists, 0 if no code exists) # |
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# - Writeability (as above: 1 if a WriteFoo() method exists, 0 otherwise) # |
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# # |
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# NOTE: Make sure tabs separate the columns -- spaces can be used in # |
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# descriptions. # |
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# # |
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############################################################################## |
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# EXTENSION TYPE DESCRIPTION MIME READ WRITE |
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alc alchemy Alchemy chemical/x-alchemy 1 1 |
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prep prep Amber PREP none 1 0 |
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bs ballstick Ball & Stick none 1 1 |
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caccrt cacao Cacao Cartesian none 1 1 |
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cacint cacaoint Cacao Internal none 0 1 |
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cache cache CAChe MolStruct none 0 1 |
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ccc ccc CCC none 1 0 |
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c3d1 chem3d1 Chem3D Cartesian 1 none 1 1 |
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c3d2 chem3d2 Chem3D Cartesian 2 none 1 1 |
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ct chemdraw ChemDraw Connection Table none 1 1 |
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cht chemtool Chemtool none 0 1 |
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cml cml Chemical Markup Language chemical/x-cml 1 1 |
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crk2d crk2d CRK2D: Chemical Resource Kit 2D chemical/x-crk2d 1 1 |
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crk3d crk3d CRK3D: Chemical Resource Kit 3D chemical/x-crk3d 1 1 |
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cssr cssr CSD CSSR none 0 1 |
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box box Dock 3.5 Box none 1 1 |
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dmol dmol DMol3 Coordinates none 1 1 |
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feat feature Feature none 1 1 |
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fh fh Fenske-Hall Z-Matrix none 0 1 |
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gamin gamessin GAMESS Input chemical/x-gamess-input 0 1 |
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inp gamessin GAMESS Input chemical/x-gamess-input 0 1 |
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gam gamessout GAMESS Output none 1 0 |
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gamout gamessout GAMESS Output none 1 0 |
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com gaussiancart Gaussian Cartesian none 0 1 |
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gau gaussiancart Gaussian Input chemical/x-gaussian-input 0 1 |
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g98 gaussianout Gaussian 98/03 Output none 1 0 |
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gpr ghemical Ghemical Project none 1 1 |
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mm1gp ghemical Ghemical MM none 1 0 |
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qm1gp ghemical Ghemical QM none 1 0 |
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gr96a gromos96a GROMOS96 (A) none 0 1 |
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gr96n gromos96n GROMOS96 (nm) none 0 1 |
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hin hin HyperChem HIN none 1 1 |
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jin jaguarin Jaguar Input none 0 1 |
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jout jaguarout Jaguar Output none 1 0 |
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bin oebinary OpenEye Binary none 1 1 |
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mmd mmd MacroModel chemical/x-macromodel-input 1 1 |
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mmod mmd MacroModel chemical/x-macromodel-input 1 1 |
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out mmd MacroModel none 1 1 |
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dat mmd MacroModel none 1 1 |
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car biosym MSI Biosym/Insight II CAR none 1 0 |
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sdf sdf MDL Isis SDF chemical/x-mdl-sdfile 1 1 |
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sd sdf MDL Isis SDF chemical/x-mdl-sdfile 1 1 |
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mdl sdf MDL Molfile chemical/x-mdl-molfile 1 1 |
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mol sdf MDL Molfile chemical/x-mdl-molfile 1 1 |
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mopcrt mopaccart MOPAC Cartesian chemical/x-mopac-input 1 1 |
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mopout mopacout MOPAC Output none 1 0 |
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mmads mmads MMADS none 1 1 |
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mpqc mpqc MPQC none 1 0 |
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bgf bgf MSI BGF none 1 1 |
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csr csr MSI Quanta CSR none 0 1 |
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nw nwchemin NWChem Input none 0 1 |
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nwo nwchemout NWChem Output none 1 0 |
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pdb pdb PDB chemical/x-pdb 1 1 |
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ent pdb PDB chemical/x-pdb 1 1 |
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pov pov POV-Ray Output none 0 1 |
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pqs pqs PQS none 1 1 |
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report report Report none 0 1 |
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qcin qchemin Q-Chem Input none 0 1 |
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qcout qchemout Q-Chem Output none 1 0 |
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res shelx ShelX none 1 0 |
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ins shelx ShelX none 1 0 |
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smi smi SMILES chemical/x-daylight-smiles 1 1 |
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fix fix SMILES Fix none 0 1 |
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mol2 mol2 Sybyl Mol2 chemical/x-mol2 1 1 |
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txyz tinker Tinker XYZ none 0 1 |
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txt title Titles none 0 1 |
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tur turbomole Turbomol none 1 1 |
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unixyz unichem UniChem XYZ none 1 1 |
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vmol viewmol ViewMol none 1 1 |
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xed xed XED none 0 1 |
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xyz xyz XYZ chemical/x-xyz 1 1 |
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zin zindo ZINDO Input none 0 1 |
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# Not "ported" from babel yet |
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bmin bmin Batchmin Command none 0 0 |
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cadpac cadpac Cambridge CADPAC none 0 0 |
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charmm charmm CHARMm none 0 0 |
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fdat fdat CSD FDAT none 0 0 |
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gstat gstat CSD GSTAT none 0 0 |
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dock dock Dock Database none 0 0 |
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fract fract Free Form Fractional none 0 0 |
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m3d m3d M3D none 0 0 |
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g92 gaussian92 Gaussian 92 Output none 0 0 |
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g94 gaussian94 Gaussian 94 Output none 0 0 |
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icon icon8 Icon 8 none 0 0 |
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idatm idatm IDATM none 0 0 |
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mcm macmol MacMolecule chemical/x-macmolecule 0 0 |
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maccs maccs MDL Maccs none 0 0 |
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micro microworld Micro World none 0 0 |
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mdn molden MOLDEN none 0 0 |
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mm2in mm2in MM2 Input none 0 0 |
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mm2out mm2out MM2 Output none 0 0 |
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mm3 mm3 MM3 none 0 0 |
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molin molin MOLIN none 0 0 |
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miv molinvent MolInventor none 0 0 |
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mopin mopacint MOPAC Internal none 0 0 |
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cmod pcmodel PC Model none 0 0 |
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msf msf MSI Quanta MSF none 0 0 |
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schakal schakal Schakal none 0 0 |
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spar spartan Spartan none 0 0 |
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semi spartansemi Spartan Semi-Empirical none 0 0 |
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spmm spartanmm Spartan MM none 0 0 |
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# These are off of the Chemical MIME list <http://www.ch.ic.ac.uk/chemime/> |
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# or product webpages (e.g. WebLab ViewerPro, ChemDraw, etc.) |
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csf csf CAChe CSF chemical/x-cache-csf 0 0 |
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cdx cdx ChemDraw CDX Binary chemical/x-cdx 0 0 |
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cdxml cdxml ChemDraw XML none 0 0 |
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cer cerius MSI Cerius II chemical/x-cerius 0 0 |
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msi cerius MSI Cerius II chemical/x-cerius 0 0 |
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chm chemdraw ChemDraw chemical/x-chemdraw 0 0 |
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c3d chem3d Chem3D chemical/x-chem3d 0 0 |
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csml csm Chemical Style Markup chemical/x-csml 0 0 |
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csm csm Chemical Style Markup chemical/x-csml 0 0 |
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mcif mmcif MaroMolecular CIF chemical/x-mmcif 0 0 |
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cbin cbin CACTVS binary chemical/x-cactvs-binary 0 0 |
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cascii cascii CACTVS ascii chemical/x-cactvs-binary 0 0 |
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ctab ctab CACTVS table chemical/x-cactvs-binary 0 0 |
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cif cif Crystallographic Interchange chemical/x-cif 0 0 |
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cmdf crystalmaker CrystalMaker Data chemical/x-cmdf 0 0 |
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cpa compass COMPASS chemical/x-compass 0 0 |
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bsd crossfire Crossfire chemical/x-crossfire 0 0 |
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ctx ctx Gasteiger CTX chemical/x-ctx 0 0 |
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cxf cxf CXF chemical/x-cxf 0 0 |
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emb embl EMBL nucleotide chemical/x-embl-dl-nucleotide 0 0 |
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vmd vmd Visual Molecular Dynamics chemical/x-vmd 0 0 |
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sw sw SWISS-PROT chemical/x-swissprot 0 0 |
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skc skc MDL Isis Sketch none 0 0 |
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tgf tgf MDL Transportable Graphics chemical/x-mdl-tgf 0 0 |
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rxn rxn MDL Reaction chemical/x-mdl-rxn 0 0 |
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b molconn Molconn-Z chemical/x-molconn-Z 0 0 |
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fch gaussiancheck Gaussian Checkpoint chemical/x-gaussian-checkpoint 0 0 |
