chemical-mime-data 0.1.94-6 / usr / share / mime / packages / chemical-mime-data.xml

<?xml version="1.0" encoding="UTF-8"?>
<!--
  This file is part of the chemical-mime-data package.
  It is distributed under the GNU Lesser General Public License version 2.1.

  Database: '$Id: chemical-mime-database.xml.in,v 1.46 2007/02/04 22:52:29 dleidert Exp $'
-->


<mime-info xmlns="http://www.freedesktop.org/standards/shared-mime-info">
  <!--
  MIME-Type: chemical/x-alchemy
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-alchemy">
    <comment>Alchemy Format</comment>
    <comment xml:lang="de">Alchemy-Format</comment>
    <comment xml:lang="fr">Format Alchemy</comment>
    <glob pattern="*.alc"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-cache
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-cache">
    <comment>CAChe MolStruct Format</comment>
    <comment xml:lang="de">CAChe MolStruct-Format</comment>
    <comment xml:lang="fr">Format CAChe MolStruct</comment>
    <acronym>CAChe</acronym>
    <expanded-acronym>Computer Aided Chemistry</expanded-acronym>
    <glob pattern="*.cac"/>
    <glob pattern="*.cache"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-cactvs-ascii
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-cactvs-ascii">
    <comment>CACTVS ASCII Format</comment>
    <comment xml:lang="de">CACTVS ASCII Format</comment>
    <acronym>ASCII</acronym>
    <expanded-acronym>American Standard Code for Information Interchange</expanded-acronym>
    <acronym>CACTVS</acronym>
    <expanded-acronym>Chemical Algorithms Construction, Threading and Verification System</expanded-acronym>
    <glob pattern="*.cascii"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="#" type="string" offset="0">
        <match value="Cactvs NMDSAscii by" type="string" offset="0:100"/>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-cactvs-binary
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-cactvs-binary">
    <comment>CACTVS Binary Format</comment>
    <comment xml:lang="de">Binäres CACTVS Format</comment>
    <acronym>CACTVS</acronym>
    <expanded-acronym>Chemical Algorithms Construction, Threading and Verification System</expanded-acronym>
    <glob pattern="*.cbin"/>
    <magic priority="50">
      <match value="07" type="byte" offset="8">
        <match value="CACTVSBIN" type="string" offset="9"/>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-cactvs-table
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-cactvs-table">
    <comment>CACTVS Table Format</comment>
    <comment xml:lang="de">Tabellarisches CACTVS Format</comment>
    <acronym>CACTVS</acronym>
    <expanded-acronym>Chemical Algorithms Construction, Threading and Verification System</expanded-acronym>
    <glob pattern="*.ctab"/>
    <magic priority="50">
      <match value="CACTVS QSAR Table" type="string" offset="0"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-cdx
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-cdx">
    <comment>ChemDraw Binary CDX Format</comment>
    <comment xml:lang="de">Binäres ChemDraw (CDX) Format</comment>
    <acronym>CDX</acronym>
    <expanded-acronym>ChemDraw eXchange</expanded-acronym>
    <glob pattern="*.cdx"/>
    <magic priority="50">
      <match value="VjCD0100" type="string" offset="0">
        <match value="0x01020304" type="little32" offset="8">
          <match value="0x00000000" type="little32" offset="12">
            <match value="0x00000000" type="little32" offset="16">
              <match value="0x80000000" type="little32" offset="20"/>
              <match value="0x00000000" type="little32" offset="20"/>
            </match>
          </match>
        </match>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-cdxml
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-cdxml">
    <comment>ChemDraw CDXML Format</comment>
    <comment xml:lang="de">ChemDraw (CD)XML Format</comment>
    <acronym>CDXML</acronym>
    <expanded-acronym>ChemDraw eXchange XML</expanded-acronym>
    <glob pattern="*.cdxml"/>
    <sub-class-of type="application/xml"/>
    <magic priority="50">
      <match value="&lt;!DOCTYPE CDXML" type="string" offset="0:256"/>
      <match value="&lt;CDXML" type="string" offset="0:64"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-chem3d
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-chem3d">
    <comment>Chem3D Format</comment>
    <comment xml:lang="de">Chem3D-Format</comment>
    <comment xml:lang="fr">Format Chem3D</comment>
    <glob pattern="*.c3d"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-cif
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-cif">
    <comment>Crystallographic Information File Format</comment>
    <comment xml:lang="de">Dateiformat mit Kristallographischen Informationen</comment>
    <comment xml:lang="fr">Format d'Échange Cristallographique</comment>
    <acronym>CIF</acronym>
    <expanded-acronym>Crystallographic Information File</expanded-acronym>
    <glob pattern="*.cif"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="#\#CIF_1.1" type="string" offset="0">
        <match value="9" type="byte" offset="10"/>
        <match value="10" type="byte" offset="10"/>
        <match value="13" type="byte" offset="10"/>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-cml
  supported since: chemical-mime-data v0.1.90
-->
  <mime-type type="chemical/x-cml">
    <comment>Chemical Markup Language</comment>
    <comment xml:lang="de">Chemische Auszeichnungssprache</comment>
    <comment xml:lang="fr">Langage de Balisage Chimique</comment>
    <acronym>CML</acronym>
    <expanded-acronym>Chemical Markup Language</expanded-acronym>
    <glob pattern="*.cml"/>
    <root-XML namespaceURI="http://www.xml-cml.org/schema" localName="cml"/>
    <root-XML namespaceURI="http://www.xml-cml.org/schema/cml2/core" localName="cml"/>
    <sub-class-of type="text/xml"/>
    <alias type="chemical/cml"/>
    <magic priority="50">
      <match value="&lt;!DOCTYPE cml" type="string" offset="0:256"/>
      <match value="&lt;!DOCTYPE molecule" type="string" offset="0:256"/>
      <match value="&lt;cml" type="string" offset="0:64"/>
      <match value="&lt;molecule" type="string" offset="0:64"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-daylight-smiles
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-daylight-smiles">
    <comment>SMILES Format</comment>
    <comment xml:lang="de">SMILES-Format</comment>
    <comment xml:lang="fr">Format SMILES</comment>
    <acronym>SMILES</acronym>
    <expanded-acronym>Simplified Molecular Input Line Entry Specification</expanded-acronym>
    <glob pattern="*.smi"/>
    <glob pattern="*.smiles"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-dmol
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-dmol">
    <comment>DMol Output Format</comment>
    <comment xml:lang="de">DMol Ausgabeformat</comment>
    <comment xml:lang="fr">Format de Sortie DMol </comment>
    <glob pattern="*.dmol"/>
    <glob pattern="*.outmol"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-gamess-input
  supported since: chemical-mime-data v0.1.93
-->
  <mime-type type="chemical/x-gamess-input">
    <comment>GAMESS Input format</comment>
    <comment xml:lang="de">GAMESS Eingabeformat</comment>
    <comment xml:lang="fr">Format d'Entrée GAMESS</comment>
    <acronym>GAMESS</acronym>
    <expanded-acronym>General Atomic and Molecular Electronic Structure System</expanded-acronym>
    <glob pattern="*.gamin"/>
    <glob pattern="*.inp"/>
    <sub-class-of type="text/plain"/>
    <magic priority="80">
      <match value="$CONTRL" type="string" offset="0:80">
        <match value="AIMPAC" type="string" offset="8:80"/>
        <match value="CCTYP" type="string" offset="8:80"/>
        <match value="CITYP" type="string" offset="8:80"/>
        <match value="COORD" type="string" offset="8:80"/>
        <match value="DFTTYP" type="string" offset="8:80"/>
        <match value="EXETYP" type="string" offset="8:80"/>
        <match value="FRIEND" type="string" offset="8:80"/>
        <match value="GEOM" type="string" offset="8:80"/>
        <match value="GRDTYP" type="string" offset="8:80"/>
        <match value="ICHARG" type="string" offset="8:80"/>
        <match value="ICUT" type="string" offset="8:80"/>
        <match value="INTTYP" type="string" offset="8:80"/>
        <match value="ISPHER" type="string" offset="8:80"/>
        <match value="ITOL" type="string" offset="8:80"/>
        <match value="LOCAL" type="string" offset="8:80"/>
        <match value="MAXIT" type="string" offset="8:80"/>
        <match value="MOLPLT" type="string" offset="8:80"/>
        <match value="MPLEVEL" type="string" offset="8:80"/>
        <match value="MULT" type="string" offset="8:80"/>
        <match value="NPRINT" type="string" offset="8:80"/>
        <match value="NORMF" type="string" offset="8:80"/>
        <match value="NORMP" type="string" offset="8:80"/>
        <match value="NOSYM" type="string" offset="8:80"/>
        <match value="NUMGRD" type="string" offset="8:80"/>
        <match value="NZVAR" type="string" offset="8:80"/>
        <match value="PLTORB" type="string" offset="8:80"/>
        <match value="PP" type="string" offset="8:80"/>
        <match value="QMTTOL" type="string" offset="8:80"/>
        <match value="RELWFN" type="string" offset="8:80"/>
        <match value="RUNTYP" type="string" offset="8:80"/>
        <match value="SCFTYP" type="string" offset="8:80"/>
        <match value="TDDFT" type="string" offset="8:80"/>
        <match value="TREST" type="string" offset="8:80"/>
        <match value="UNITS" type="string" offset="8:80"/>
        <match value="$END" type="string" offset="8:80"/>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-gamess-output
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-gamess-output">
    <comment>GAMESS Output format</comment>
    <comment xml:lang="de">GAMESS Ausgabeformat</comment>
    <acronym>GAMESS</acronym>
    <expanded-acronym>General Atomic and Molecular Electronic Structure System</expanded-acronym>
    <glob pattern="*.gam"/>
    <glob pattern="*.gamout"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="----- GAMESS execution script -----" type="string" offset="0"/>
      <match value="GAMESS VERSION =" type="string" offset="65:130">
        <match value="\n\n EXECUTION OF GAMESS BEGUN" type="string" offset="584:585"/>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-gaussian-input
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-gaussian-input">
    <comment>Gaussian Input Format</comment>
    <comment xml:lang="de">Gaussian Eingabeformat</comment>
    <comment xml:lang="fr">Format d'Entrée Gaussian</comment>
    <glob pattern="*.gau"/>
    <glob pattern="*.gjc"/>
    <glob pattern="*.gjf"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-gaussian-log
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-gaussian-log">
    <comment>Gaussian Log/Output Format</comment>
    <comment xml:lang="de">Gaussian Log-/Ausgabeformat</comment>
    <glob pattern="*.g92"/>
    <glob pattern="*.g94"/>
    <glob pattern="*.g98"/>
    <glob pattern="*.g03"/>
    <glob pattern="*.gal"/>
    <sub-class-of type="text/plain"/>
    <alias type="chemical/x-gaussian"/>
    <alias type="chemical/x-gaussian-output"/>
    <alias type="chemical/x-gaussian92-output"/>
    <alias type="chemical/x-gaussian94-output"/>
    <alias type="chemical/x-gaussian98-output"/>
    <alias type="chemical/x-gaussian03-output"/>
    <magic priority="50">
      <match value="Entering Gaussian System, Link 0=" type="string" offset="1"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-genbank
  supported since: chemical-mime-data v0.1.93
-->
  <mime-type type="chemical/x-genbank">
    <comment>GenBank Flat File Format</comment>
    <comment xml:lang="de">Flaches GenBank Dateiformat</comment>
    <comment xml:lang="fr">Format de Fichier GenBank</comment>
    <acronym>GenBank</acronym>
    <expanded-acronym>National Genetic Sequence Data Base</expanded-acronym>
    <glob pattern="*.gb"/>
    <glob pattern="*.gen"/>
    <sub-class-of type="text/plain"/>
    <alias type="chemical/seq-na-genbank"/>
    <magic priority="80">
      <match value="                   GENETIC SEQUENCE DATA BANK" type="string" offset="0"/>
      <match value="LOCUS       " type="string" offset="0"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-gulp
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-gulp">
    <comment>GULP Output File Format</comment>
    <comment xml:lang="de">GULP Ausgabedatei</comment>
    <acronym>GULP</acronym>
    <expanded-acronym>General Utility Lattice Program</expanded-acronym>
    <glob pattern="*.got"/>
    <glob pattern="*.out"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="GENERAL UTILITY LATTICE PROGRAM" type="string" offset="81:160">
        <match value="Julian Gale" type="string" offset="161:240">
          <match value="Nanochemistry Research Institute" type="string" offset="241:320">
            <match value="Curtin University of Technology, Western Australia" type="string" offset="321:400"/>
          </match>
        </match>
        <match value="Julian Gale, NRI, Curtin University" type="string" offset="161:240"/>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-hin
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-hin">
    <comment>HyperChem Molecule File Format</comment>
    <comment xml:lang="de">HyperChem Moleküldateiformat</comment>
    <comment xml:lang="fr">Format de Fichier de Molécule HyperChem</comment>
    <glob pattern="*.hin"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="mol 1 " type="string" offset="0">
        <match value=".hin" type="string" offset="6:64">
          <match value="atom 1" type="string" offset="12:128"/>
        </match>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-inchi
  supported since: chemical-mime-data v0.1.93
-->
  <mime-type type="chemical/x-inchi">
    <comment>IUPAC International Chemical Identifier</comment>
    <comment xml:lang="de">IUPAC Internationale Chemische Kennung</comment>
    <acronym>InChI</acronym>
    <expanded-acronym>International Chemical Identifier</expanded-acronym>
    <acronym>IUPAC</acronym>
    <expanded-acronym>International Union of Pure and Applied Chemistry</expanded-acronym>
    <glob pattern="*.inchi"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-inchi-xml
  supported since: chemical-mime-data v0.1.93
-->
  <mime-type type="chemical/x-inchi-xml">
    <comment>IUPAC International Chemical Identifier</comment>
    <comment xml:lang="de">IUPAC Internationale Chemische Kennung</comment>
    <acronym>InChI</acronym>
    <expanded-acronym>International Chemical Identifier</expanded-acronym>
    <acronym>IUPAC</acronym>
    <expanded-acronym>International Union of Pure and Applied Chemistry</expanded-acronym>
    <glob pattern="*.inchix"/>
    <sub-class-of type="application/xml"/>
    <magic priority="50">
      <match value="&lt;INChI" type="string" offset="0:64"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-jcamp-dx
  supported since: chemical-mime-data v0.1.93
-->
  <mime-type type="chemical/x-jcamp-dx">
    <comment>JCAMP Spectroscopic Data Exchange Format</comment>
    <comment xml:lang="de">JCAMP Austauschformat für spektroskopische Daten</comment>
    <acronym>JCAMP</acronym>
    <expanded-acronym>Joint Committee on Atomic and Molecular Physical Data</expanded-acronym>
    <glob pattern="*.dx"/>
    <glob pattern="*.jdx"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-macromodel-input
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-macromodel-input">
    <comment>MacroModel Molecular Mechanics Format</comment>
    <comment xml:lang="de">MacroModel Molekülmechanik-Format</comment>
    <comment xml:lang="fr">Format de Mécanique Moléculaire MacroModel</comment>
    <glob pattern="*.mmd"/>
    <glob pattern="*.mmod"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mdl-molfile
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mdl-molfile">
    <comment>MDL Molfile Format</comment>
    <comment xml:lang="de">MDL Moldatei-Format</comment>
    <comment xml:lang="fr">Format de Fichier MDL Molfile</comment>
    <acronym>MDL</acronym>
    <expanded-acronym>Molecular Design Ltd.</expanded-acronym>
    <glob pattern="*.mdl"/>
    <glob pattern="*.mol"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mdl-rdfile
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mdl-rdfile">
    <comment>MDL Reaction Format</comment>
    <comment xml:lang="de">MDL Reaktions-Format</comment>
    <comment xml:lang="fr">Format MDL de Réactions</comment>
    <acronym>MDL</acronym>
    <expanded-acronym>Molecular Design Ltd.</expanded-acronym>
    <glob pattern="*.rd"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mdl-rxnfile
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mdl-rxnfile">
    <comment>MDL 2D Reaction-Data Representation Format</comment>
    <comment xml:lang="de">MDL 2D Reaktionsdaten-Darstellungsformat</comment>
    <comment xml:lang="fr">Format MDL de Représentation 2D de Données Réactionnelles</comment>
    <acronym>2D</acronym>
    <expanded-acronym>2-Dimensional</expanded-acronym>
    <acronym>MDL</acronym>
    <expanded-acronym>Molecular Design Ltd.</expanded-acronym>
    <glob pattern="*.rxn"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mdl-sdfile
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mdl-sdfile">
    <comment>MDL Structure Data Format</comment>
    <comment xml:lang="de">MDL Strukturdaten-Format</comment>
    <comment xml:lang="fr">Format de Fichier MDL de Données Structurelles</comment>
    <acronym>MDL</acronym>
    <expanded-acronym>Molecular Design Ltd.</expanded-acronym>
    <glob pattern="*.sd"/>
    <glob pattern="*.sdf"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mdl-tgf
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mdl-tgf">
    <comment>MDL Transportable Graphics Format</comment>
    <comment xml:lang="de">MDL Transportables Grafik-Format</comment>
    <comment xml:lang="fr">Format MDL de Graphiques Transportables</comment>
    <acronym>MDL</acronym>
    <expanded-acronym>Molecular Design Ltd.</expanded-acronym>
    <glob pattern="*.tgf"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mmcif
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mmcif">
    <comment>MacroMolecular Crystallographic Information File Format</comment>
    <comment xml:lang="de">MacroMolecular Dateiformat Kristallographisches Austauschformat</comment>
    <comment xml:lang="fr">Format d'Échange Cristallographique pour les Structures de Macromolécule</comment>
    <acronym>MMCIF</acronym>
    <expanded-acronym>MacroMolecular Crystallographic Information File</expanded-acronym>
    <glob pattern="*.mcif"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mol2
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mol2">
    <comment>SYBYL Portable Representation Format</comment>
    <comment xml:lang="de">SYBYL Portables Darstellungsformat</comment>
    <comment xml:lang="fr">Format SYBYL de Représentation Portable</comment>
    <glob pattern="*.ml2"/>
    <glob pattern="*.mol2"/>
    <glob pattern="*.sy2"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="@&lt;TRIPOS&gt;MOLECULE\x0D" type="string" offset="0:800"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mopac-graph
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mopac-graph">
    <comment>MOPAC Graphical Format</comment>
    <comment xml:lang="de">MOPAC Grafikformat</comment>
    <comment xml:lang="fr">Format Graphique MOPAC</comment>
    <acronym>MOPAC</acronym>
    <expanded-acronym>Molecular Orbital PACkage</expanded-acronym>
    <glob pattern="*.gpt"/>
    <sub-class-of type="text/plain"/>
    <alias type="chemical/x-mopac"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mopac-input
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-mopac-input">
    <comment>MOPAC Input Format</comment>
    <comment xml:lang="de">MOPAC Eingabeformat</comment>
    <comment xml:lang="fr">Format d'Entrée MOPAC</comment>
    <acronym>MOPAC</acronym>
    <expanded-acronym>Molecular Orbital PACkage</expanded-acronym>
    <glob pattern="*.dat"/>
    <glob pattern="*.mop"/>
    <glob pattern="*.mopcrt"/>
    <glob pattern="*.mpc"/>
    <glob pattern="*.zmt"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-mopac-out
  supported since: chemical-mime-data v0.1.93
-->
  <mime-type type="chemical/x-mopac-out">
    <comment>MOPAC Output Format</comment>
    <comment xml:lang="de">MOPAC Ausgabeformat</comment>
    <acronym>MOPAC</acronym>
    <expanded-acronym>Molecular Orbital PACkage</expanded-acronym>
    <glob pattern="*.moo"/>
    <glob pattern="*.out"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="MOPAC" type="string" offset="81:160">
        <match value="(c) Fujitsu" type="string" offset="81:160"/>
      </match>
      <match value="MOPAC" type="string" offset="81:160"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-msi-car
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-msi-car">
    <comment>Accelrys Cartesian Coordinate Archive File</comment>
    <comment xml:lang="de">Accelrys Archivdatei mit kartesischen Koordinaten</comment>
    <glob pattern="*.arc"/>
    <glob pattern="*.car"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="!BIOSYM archive " type="string" offset="0"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-msi-hessian
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-msi-hessian">
    <comment>Accelrys Hessian File</comment>
    <comment xml:lang="de">Accelrys Hesse-Matrix</comment>
    <comment xml:lang="fr">Fichier Accelrys de Matrice de Hesse</comment>
    <glob pattern="*.hessian"/>
    <glob pattern="*.hessianx"/>
    <glob pattern="*.xhessian"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="$hessian" type="string" offset="0"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-msi-mdf
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-msi-mdf">
    <comment>Accelrys Molecular Data File</comment>
    <comment xml:lang="de">Accelrys Molekulardaten</comment>
    <comment xml:lang="fr">Fichier Accelrys de Données Moléculaires</comment>
    <glob pattern="*.mdf"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="!BIOSYM molecular_data " type="string" offset="0"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-msi-msi
  supported since: chemical-mime-data v0.1.91
-->
  <mime-type type="chemical/x-msi-msi">
    <comment>Accelrys Data Model File</comment>
    <comment xml:lang="de">Accelrys Datenmodell</comment>
    <comment xml:lang="fr">Fichier Accelrys de Modèle de Données</comment>
    <glob pattern="*.msi"/>
    <sub-class-of type="text/plain"/>
    <magic priority="50">
      <match value="# MSI CERIUS2 DataModel File Version " type="string" offset="0"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-ncbi-asn1
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-ncbi-asn1">
    <comment>PubChem ASN.1 ASCII Format</comment>
    <comment xml:lang="de">Natives PubChem ASN.1 ASCII Format</comment>
    <acronym>ASCII</acronym>
    <expanded-acronym>American Standard Code for Information Interchange</expanded-acronym>
    <acronym>ASN.1</acronym>
    <expanded-acronym>Abstract Syntax Notation One</expanded-acronym>
    <glob pattern="*.asn"/>
    <sub-class-of type="text/plain"/>
    <alias type="chemical/x-ncbi-asn1-ascii"/>
    <magic priority="50">
      <match value="PC-AssayContainer" type="string" offset="0"/>
      <match value="PC-Compound" type="string" offset="0"/>
      <match value="PC-InfoData" type="string" offset="0"/>
      <match value="PC-ID" type="string" offset="0"/>
      <match value="PC-Source" type="string" offset="0"/>
      <match value="PC-Substance" type="string" offset="0"/>
      <match value="PC-XRefData" type="string" offset="0"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-ncbi-asn1-binary
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-ncbi-asn1-binary">
    <comment>PubChem ASN.1 Binary Format</comment>
    <comment xml:lang="de">Binäres PubChem ASN.1 Format</comment>
    <acronym>ASN.1</acronym>
    <expanded-acronym>Abstract Syntax Notation One</expanded-acronym>
    <glob pattern="*.asn"/>
    <glob pattern="*.val"/>
    <magic priority="50">
      <match value="0x803080A0" type="little32" offset="0">
        <match value="0x80308030" type="little32" offset="4"/>
      </match>
      <match value="0x80308030" type="little32" offset="0">
        <match value="0x803080A0" type="little32" offset="4"/>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-ncbi-asn1-xml
  supported since: chemical-mime-data v0.1.94
-->
  <mime-type type="chemical/x-ncbi-asn1-xml">
    <comment>PubChem ASN.1 XML Format</comment>
    <comment xml:lang="de">PubChem ASN.1 XML Format</comment>
    <acronym>ASN.1</acronym>
    <expanded-acronym>Abstract Syntax Notation One</expanded-acronym>
    <acronym>XML</acronym>
    <expanded-acronym>eXtensible Markup Language</expanded-acronym>
    <glob pattern="*.pc"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-AssayContainer"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-Compound"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-Compounds"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-ID"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-InfoData"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-Source"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-Substance"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-Substances"/>
    <root-XML namespaceURI="http://www.ncbi.nlm.nih.gov" localName="PC-XRefData"/>
    <sub-class-of type="application/xml"/>
    <magic priority="50">
      <match value="&lt;PC-AssayContainer" type="string" offset="0:64"/>
      <match value="&lt;PC-Compound" type="string" offset="0:64"/>
      <match value="&lt;PC-ID" type="string" offset="0:64"/>
      <match value="&lt;PC-InfoData" type="string" offset="0:64"/>
      <match value="&lt;PC-Source" type="string" offset="0:64"/>
      <match value="&lt;PC-Substance" type="string" offset="0:64"/>
      <match value="&lt;PC-XRefData" type="string" offset="0:64"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-pdb
  supported since: chemical-mime-data v0.1.90
-->
  <mime-type type="chemical/x-pdb">
    <comment>Brookhaven Protein DataBase File Format</comment>
    <comment xml:lang="de">Dateiformat der Brookhaven Proteindatenbank</comment>
    <comment xml:lang="fr">Format de Fichier de la Base de Données de Protéines Brookhaven</comment>
    <glob pattern="*.pdb"/>
    <sub-class-of type="text/plain"/>
    <alias type="chemical/pdb"/>
    <magic priority="85">
      <match value="ATOM   " type="string" offset="0">
        <match value=" " type="string" offset="11"/>
      </match>
      <match value="HETATM " type="string" offset="0">
        <match value=" " type="string" offset="11"/>
      </match>
      <match value="TER    " type="string" offset="0">
        <match value=" " type="string" offset="11"/>
      </match>
      <match value="AUTHOR " type="string" offset="0"/>
      <match value="CISPEP " type="string" offset="0"/>
      <match value="COMPND " type="string" offset="0"/>
      <match value="CRYST1 " type="string" offset="0"/>
      <match value="DBREF  " type="string" offset="0"/>
      <match value="EXPDTA " type="string" offset="0"/>
      <match value="FORMUL " type="string" offset="0"/>
      <match value="HEADER " type="string" offset="0"/>
      <match value="HELIX  " type="string" offset="0"/>
      <match value="HETNAM " type="string" offset="0"/>
      <match value="HETSYN " type="string" offset="0"/>
      <match value="JRNL   " type="string" offset="0"/>
      <match value="KEYWDS " type="string" offset="0"/>
      <match value="LINK   " type="string" offset="0"/>
      <match value="MODEL  " type="string" offset="0"/>
      <match value="MTRIX1 " type="string" offset="0"/>
      <match value="ORIGX1 " type="string" offset="0"/>
      <match value="REMARK " type="string" offset="0"/>
      <match value="REVDAT " type="string" offset="0"/>
      <match value="SCALE1 " type="string" offset="0"/>
      <match value="SEQDAV " type="string" offset="0"/>
      <match value="SEQRES " type="string" offset="0"/>
      <match value="SHEET  " type="string" offset="0"/>
      <match value="SOURCE " type="string" offset="0"/>
      <match value="TITLE  " type="string" offset="0"/>
      <match value="TURN   " type="string" offset="0"/>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-shelx
  supported since: chemical-mime-data v0.1.93
-->
  <mime-type type="chemical/x-shelx">
    <comment>ShelX Document</comment>
    <comment xml:lang="de">ShelX Dokument</comment>
    <comment xml:lang="fr">Document ShelX</comment>
    <glob pattern="*.ins"/>
    <glob pattern="*.res"/>
    <sub-class-of type="text/plain"/>
    <magic priority="80">
      <match value="TITL" type="string" offset="0">
        <match value="CELL" type="string" offset="5:81"/>
      </match>
    </magic>
  </mime-type>
  <!--
  MIME-Type: chemical/x-vmd
  supported since: chemical-mime-data v0.1.93
-->
  <mime-type type="chemical/x-vmd">
    <comment>Visual Molecular Dynamics</comment>
    <comment xml:lang="fr">Système de Visualisation de Dynamique Moléculaire</comment>
    <glob pattern="*.vmd"/>
    <sub-class-of type="text/plain"/>
  </mime-type>
  <!--
  MIME-Type: chemical/x-xyz
  supported since: chemical-mime-data v0.1.90
-->
  <mime-type type="chemical/x-xyz">
    <comment>XYZ Co-ordinate Animation Format</comment>
    <comment xml:lang="de">XYZ-Koordinatendatei im Animationsformat</comment>
    <comment xml:lang="fr">Format de Coordonnées XYZ d'Animation</comment>
    <glob pattern="*.xyz"/>
    <sub-class-of type="text/plain"/>
    <alias type="chemical/xyz"/>
  </mime-type>
</mime-info>