chemical-mime-data

The source of this project can be downloaded at the Sourceforge.net project page. SourceForge.net Logo

The released version is: 0.1.95.

The released Database version is: '$Id: chemical-mime-database.xml.in 147 2008-01-22 03:02:24Z dleidert $'.

Table of Contents

  1. Supported MIME types
  2. Unsupported but known MIME types
  3. References

Supported MIME types

The following MIME types are supported by the chemical-mime-data package version 0.1.95.

MIME type

Sub-class of [1]

Alias
Description Filename extension
Magic Pattern
Root XML/Namespace
Specification
chemical/x-alchemy
Sub-class of:
text/plain
Alchemy file *.alc
http://local.wasp.uwa.edu.au/~pbourke/dataformats/alc/
chemical/x-cache
Sub-class of:
text/plain
CAChe MolStruct file *.cac, *.cache
chemical/x-cactvs-ascii
Sub-class of:
text/plain
CACTVS ASCII file *.cascii
<magic priority="50">
<match value="#" type="string" offset="0">
<match value="Cactvs NMDSAscii by" type="string" offset="0:100"/>
</match>
</magic>
chemical/x-cactvs-binary CACTVS binary file *.cbin
<magic priority="50">
<match value="07" type="byte" offset="8">
<match value="CACTVSBIN" type="string" offset="9"/>
</match>
</magic>
chemical/x-cactvs-table CACTVS table file *.ctab
<magic priority="50">
<match value="CACTVS QSAR Table" type="string" offset="0"/>
</magic>
chemical/x-cdx CDX binary file *.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>
http://www.camsoft.com/plugins/,
http://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/index.htm,
http://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/IntroCDX.htm
chemical/x-cdxml
Sub-class of:
application/xml
CDXML document *.cdxml
<magic priority="50">
<match value="<!DOCTYPE CDXML" type="string" offset="0:256"/>
<match value="<CDXML" type="string" offset="0:64"/>
</magic>
http://www.camsoft.com/plugins/,
http://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/index.htm,
http://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/IntroCDXML.htm
chemical/x-chem3d
Sub-class of:
text/plain
Chem3D binary file *.c3d
http://www.camsoft.com/plugins/
chemical/x-cif
Sub-class of:
text/plain
CIF document *.cif
<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>
http://www.iucr.org/iucr-top/cif/spec/,
http://www.iucr.org/iucr-top/cif/standard/cifstd1.html,
http://www.iucr.org/iucr-top/cif/spec/version1.1/index.html
chemical/x-cml
Sub-class of:
application/xml
Alias(s):
chemical/cml
CML document *.cml
<magic priority="50">
<match value="<!DOCTYPE cml" type="string" offset="0:256"/>
<match value="<!DOCTYPE molecule" type="string" offset="0:256"/>
<match value="<cml" type="string" offset="0:64"/>
<match value="<molecule" type="string" offset="0:64"/>
</magic>
<root-XML namespaceURI="http://www.xml-cml.org/schema" localName="cml"/>
<root-XML namespaceURI="http://www.xml-cml.org/schema/cml2/core" localName="cml"/>
http://www.xml-cml.org/
chemical/x-daylight-smiles
Sub-class of:
text/plain
SMILES formula *.smi, *.smiles
http://www.daylight.com/smiles/
chemical/x-dmol
Sub-class of:
text/plain
DMol Output Format *.dmol, *.outmol
chemical/x-gamess-input
Sub-class of:
text/plain
GAMESS input *.gamin, *.inp
<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>
http://www.msg.ameslab.gov/GAMESS/doc.menu.html,
http://www.msg.ameslab.gov/GAMESS/Graphics/MacMolPlt.shtml,
http://www.msg.ameslab.gov/FTP/GAMESS_Manual/input.pdf
chemical/x-gamess-output
Sub-class of:
text/plain
GAMESS output *.gam, *.gamout
<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>
http://www.msg.ameslab.gov/GAMESS/doc.menu.html,
http://www.msg.ameslab.gov/GAMESS/Graphics/MacMolPlt.shtml
chemical/x-gaussian-input
Sub-class of:
text/plain
Gaussian input *.gau, *.gjc, *.gjf
http://gaussian.com/tech_top_level.htm,
http://www.gaussian.com/g_ur/m_input.htm
chemical/x-gaussian-log
Sub-class of:
text/plain
Alias(s):
chemical/x-gaussian
chemical/x-gaussian-output
chemical/x-gaussian03-output
chemical/x-gaussian92-output
chemical/x-gaussian94-output
chemical/x-gaussian98-output
Gaussian log/output *.g92, *.g94, *.g98, *.g03, *.gal, *.log, *.out
<magic priority="50">
<match value="Entering Gaussian System, Link 0=" type="string" offset="1"/>
</magic>
http://gaussian.com/tech_top_level.htm
chemical/x-genbank
Sub-class of:
text/plain
Alias(s):
chemical/seq-na-genbank
GenBank flat file *.gb, *.gen
<magic priority="80">
<match value=" GENETIC SEQUENCE DATA BANK" type="string" offset="0"/>
<match value="LOCUS " type="string" offset="0"/>
</magic>
http://www.psc.edu/general/software/packages/seq-intro/genbankfile.html,
http://www.ncbi.nlm.nih.gov/Sitemap/samplerecord.html,
http://msdlocal.ebi.ac.uk/docs/mimetype.html,
http://www.ebi.ac.uk/help/formats.html
chemical/x-gulp
Sub-class of:
text/plain
GULP output *.got, *.out
<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>
http://www.ivec.org/GULP/help/gulp_30_manual/gulpnode55.html,
http://www.ivec.org/GULP/help/examples.html
chemical/x-hin
Sub-class of:
text/plain
HyperChem molecule file *.hin
<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>
chemical/x-inchi
Sub-class of:
text/plain
IUPAC InChI string(s) *.inchi
<magic priority="50">
<match value="InChI=" type="string" offset="0"/>
</magic>
http://www.iupac.org/inchi/
chemical/x-inchi-xml
Sub-class of:
application/xml
IUPAC InChI XML file *.inchix
<magic priority="50">
<match value="<INChI" type="string" offset="0:64"/>
</magic>
http://www.iupac.org/inchi/
chemical/x-jcamp-dx
Sub-class of:
text/plain
JCAMP Spectroscopic Data Exchange file *.dx, *.jdx
chemical/x-macromodel-input
Sub-class of:
text/plain
MacroModel input *.mmd, *.mmod
http://www.columbia.edu/cu/chemistry/mmod/mmod.html
chemical/x-mdl-molfile
Sub-class of:
text/plain
MDL molecule file *.mdl, *.mol
http://www.mdl.com/downloads/public/ctfile/ctfile.pdf
chemical/x-mdl-rdfile
Sub-class of:
text/plain
MDL reaction data file *.rd
<magic priority="50">
<match value="$RDFILE 1\n" type="string" offset="0">
<match value="$DATM" type="string" offset="10"/>
</match>
</magic>
http://www.mdl.com/downloads/public/ctfile/ctfile.pdf
chemical/x-mdl-rxnfile
Sub-class of:
text/plain
MDL reaction file *.rxn
<magic priority="50">
<match value="$RXN\n" type="string" offset="0"/>
<match value="$RXN V3000\n" type="string" offset="0"/>
</magic>
http://www.mdl.com/downloads/public/ctfile/ctfile.pdf
chemical/x-mdl-sdfile
Sub-class of:
text/plain
MDL structure data *.sd, *.sdf
http://www.mdl.com/downloads/public/ctfile/ctfile.pdf
chemical/x-mdl-tgf
Sub-class of:
text/plain
MDL transportable graphics *.tgf
http://www.mdli.com/
chemical/x-mmcif
Sub-class of:
text/plain
MMCIF document *.mcif
http://mmcif.pdb.org/,
http://www.pdb.org/robohelp/ftp/files_formats/structures/chemical_component_format/chemical_component_mmcif_format.htm
chemical/x-mol2
Sub-class of:
text/plain
SYBYL Portable Representation *.ml2, *.mol2, *.sy2
<magic priority="50">
<match value="@<TRIPOS>MOLECULE\x0D" type="string" offset="0:800"/>
</magic>
http://www.tripos.com/index.php?family=modules,SimplePage,sup_mol2,
http://www.tripos.com/data/support/mol2.pdf
chemical/x-mopac-graph
Sub-class of:
text/plain
Alias(s):
chemical/x-mopac
MOPAC graphic *.gpt
http://cc-ipcp.icp.ac.ru/mopac93.pdf
chemical/x-mopac-input
Sub-class of:
text/plain
MOPAC input *.dat, *.mop, *.mopcrt, *.mpc, *.zmt
http://www.mdli.com/,
http://cc-ipcp.icp.ac.ru/mopac93.pdf
chemical/x-mopac-out
Sub-class of:
text/plain
MOPAC output *.moo, *.out
<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>
http://cc-ipcp.icp.ac.ru/mopac93.pdf
chemical/x-msi-car
Sub-class of:
text/plain
Accelrys Cartesian Coordinate Archive File *.arc, *.car
<magic priority="50">
<match value="!BIOSYM archive " type="string" offset="0"/>
</magic>
http://www-bio.unizh.ch/docu/acc_docs/doc/formats980/File_Formats_1998.html#739217,
http://www-bio.unizh.ch/docu/acc_docs/doc/formats980/File_Formats_1998.html#781840
chemical/x-msi-hessian
Sub-class of:
text/plain
Accelrys Hessian file *.hessian, *.hessianx, *.xhessian
<magic priority="50">
<match value="$hessian" type="string" offset="0"/>
</magic>
http://www-bio.unizh.ch/docu/acc_docs/doc/formats980/File_Formats_1998.html#482939,
http://www.convert-extensions.com/format/HESSIAN-Insight-II-Hessian-File.html,
http://www.convert-extensions.com/format/HESSIANX-Insight-II-Hessian-File.html
chemical/x-msi-mdf
Sub-class of:
text/plain
Accelrys Molecular Data File *.mdf
<magic priority="50">
<match value="!BIOSYM molecular_data " type="string" offset="0"/>
</magic>
http://www-bio.unizh.ch/docu/acc_docs/doc/formats980/File_Formats_1998.html#484480
chemical/x-msi-msi
Sub-class of:
text/plain
Accelrys Data Model File *.msi
<magic priority="50">
<match value="# MSI CERIUS2 DataModel File Version " type="string" offset="0"/>
</magic>
chemical/x-ncbi-asn1
Sub-class of:
text/plain
Alias(s):
chemical/x-ncbi-asn1-ascii
PubChem ASN.1 ASCII file *.asn
<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>
ftp://ftp.ncbi.nih.gov/pubchem/specifications/pubchem.asn,
http://www.ncbi.nlm.nih.gov/Sitemap/Summary/asn1.html
chemical/x-ncbi-asn1-binary PubChem ASN.1 binary file *.asn, *.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>
ftp://ftp.ncbi.nih.gov/pubchem/specifications/pubchem.asn
chemical/x-ncbi-asn1-xml
Sub-class of:
application/xml
PubChem ASN.1 XML document *.pc
<magic priority="50">
<match value="<PC-AssayContainer" type="string" offset="0:64"/>
<match value="<PC-Compound" type="string" offset="0:64"/>
<match value="<PC-ID" type="string" offset="0:64"/>
<match value="<PC-InfoData" type="string" offset="0:64"/>
<match value="<PC-Source" type="string" offset="0:64"/>
<match value="<PC-Substance" type="string" offset="0:64"/>
<match value="<PC-XRefData" type="string" offset="0:64"/>
</magic>
<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"/>
ftp://ftp.ncbi.nih.gov/pubchem/specifications/pubchem.xsd
chemical/x-pdb
Sub-class of:
text/plain
Alias(s):
chemical/pdb
Brookhaven PDB file *.brk, *.ent, *.pdb
<magic priority="85">
<match value="HEADER " type="string" offset="0">
<match value="??-???-?? ????" type="string" offset="50" mask="0x0000ff000000ff0000ffffff00000000"/>
</match>
<match value="HEADER " type="string" offset="0"/>
<match value="TITLE " type="string" offset="0"/>
<match value="REMARK " type="string" offset="0"/>
<match value="AUTHOR " type="string" offset="0"/>
<match value="COMPND " type="string" offset="0"/>
<match value="MODEL 1" type="string" offset="0"/>
<match value="TER 1 " type="string" offset="0"/>
<match value="CRYST1 " type="string" offset="0"/>
<match value="ATOM 1 " type="string" offset="0"/>
<match value="HETATM 1 " type="string" offset="0"/>
</magic>
http://www.rcsb.org/pdb/static.do?p=file_formats/pdb/index.html,
http://www-bio.unizh.ch/docu/acc_docs/doc/formats980/File_Formats_1998.html#781879
chemical/x-shelx
Sub-class of:
text/plain
ShelX document *.ins, *.res
<magic priority="80">
<match value="TITL" type="string" offset="0">
<match value="CELL" type="string" offset="5:81"/>
</match>
</magic>
http://shelx.uni-ac.gwdg.de/SHELX/,
http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf
chemical/x-vmd
Sub-class of:
text/plain
Visual Molecular Dynamics *.vmd
<magic priority="50">
<match value="VMODEL VERSION 0.??\n" type="string" offset="0" mask="0x0000000000000000000000000000000000ffff00"/>
</magic>
http://www.ks.uiuc.edu/Research/vmd/
chemical/x-xyz
Sub-class of:
text/plain
Alias(s):
chemical/xyz
XYZ coordinate animation *.xyz
http://openbabel.sourceforge.net/wiki/XYZ

Unsupported but known MIME types

The following MIME types are not supported by the chemical-mime-data package version 0.1.95.

MIME type

Sub-class of [1]

Alias
Description Filename extension
Magic Pattern
Root XML/Namespace
Specification
application/x-chemtool
Sub-class of:
text/plain
Chemtool file *.cht
<magic priority="50">
<match value="Chemtool Version " type="string" offset="0"/>
</magic>
application/x-ghemical
Sub-class of:
text/plain
Ghemical QM file *.gpr, *.mm1gp, *.qm1gp
<magic priority="50">
<match value="!Header gpr " type="string" offset="0">
<match value="100\n" type="string" offset="12"/>
<match value="110\n" type="string" offset="12"/>
<match value="111\n" type="string" offset="12"/>
</match>
<match value="!Header mmlgp " type="string" offset="0">
<match value="100\n" type="string" offset="14"/>
</match>
</magic>
application/x-jmol-voxel
Sub-class of:
text/plain
JVXL file *.jvxl
<magic priority="50">
<match value="JVXL " type="string" offset="0"/>
</magic>
http://www.stolaf.edu/academics/chemapps/jmol/docs/misc/JVXL-format.pdf
application/x-xdrawchem
Sub-class of:
application/xml
Native XDrawChem file *.xdc
<magic priority="50">
<match value="<!DOCTYPE xdrawchem" type="string" offset="0:256"/>
<match value="<xdrawchem" type="string" offset="0:64"/>
</magic>
chemical/seq-aa-fasta
Sub-class of:
chemical/x-fasta
Fasta Amino Acid Sequence *.aa
http://msdlocal.ebi.ac.uk/docs/mimetype.html,
http://www.ebi.ac.uk/help/formats.html
chemical/seq-aa-genpept
Sub-class of:
text/plain
GenPept Flat File *.gp
http://msdlocal.ebi.ac.uk/docs/mimetype.html
chemical/seq-na-fasta
Sub-class of:
chemical/x-fasta
Fasta Nucleotide Sequence *.na
http://msdlocal.ebi.ac.uk/docs/mimetype.html
chemical/x-cache-csf
Sub-class of:
text/plain
CAChe CSF file *.csf
chemical/x-cerius
Sub-class of:
text/plain
MSI Cerius II file *.cer
chemical/x-chem3d-xml
Sub-class of:
application/xml
Chem3D XML file *.c3xml
<magic priority="50">
<match value="<!DOCTYPE C3XML" type="string" offset="0:256"/>
<match value="<C3XML" type="string" offset="0:64"/>
</magic>
http://www.camsoft.com/plugins/
chemical/x-chemdraw
Alias(s):
application/x-chemdraw
ChemDraw file *.chm
chemical/x-cmdf CrystalMaker binary crystal file *.cmdf, *.cmd5
<magic priority="50">
<match value="CMDFCrystalMakerM" type="string" offset="0"/>
<match value="CMD5(CrystalMaker)" type="string" offset="0"/>
</magic>
http://www.crystalmaker.com/library/index.html
chemical/x-cmmf CrystalMaker binary molecule file *.cmmf, *.cmm5
<magic priority="50">
<match value="CMMFCrystalMakerM" type="string" offset="0"/>
<match value="CMM5(CrystalMaker)" type="string" offset="0"/>
</magic>
http://www.crystalmaker.com/library/proteins.html
chemical/x-cmtx CrystalMaker crystal/molecule text file *.cmtx
<magic priority="80">
<match value="TITL" type="string" offset="0">
<match value="NOTE" type="string" offset="5:81"/>
</match>
<match value="MOLE" type="string" offset="0">
<match value="TITL" type="string" offset="5:81">
<match value="NOTE" type="string" offset="10:161"/>
</match>
</match>
</magic>
http://www.crystalmaker.co.uk/downloads/CM_Users_Guide.pdf
chemical/x-compass COMPASS Program of the Takahashi *.cpa
chemical/x-crossfire CrossFire file *.bsd
chemical/x-csml CSML document *.csm, *.csml
chemical/x-ctx
Sub-class of:
text/plain
Gasteiger ClearText file *.ctx
<magic priority="50">
<match value=" /IDENT " type="string" offset="0"/>
</magic>
chemical/x-cxf CXF file *.cef, *.cxf
chemical/x-embl-dl-nucleotide
Sub-class of:
text/plain
EMBL nucleotide file *.emb, *.embl
<magic priority="50">
<match value="ID " type="string" offset="0"/>
</magic>
http://mercury.ebi.ac.uk/,
http://www.ebi.ac.uk/help/formats.html,
http://www.ebi.ac.uk/embl/Documentation/User_manual/usrman.html#FORMAT,
http://www.biobind.com/faq/emboss/formats.html,
http://www.psc.edu/general/software/packages/seq-intro/emblfile.html
chemical/x-fasta
Sub-class of:
text/plain
Fasta file *.fa, *.fna, *.fsa, *.fasta, *.mpfa
<magic priority="50">
<match value=">" type="string" offset="0">
<match value="bbs|" type="string" offset="1"/>
<match value="gi|" type="string" offset="1"/>
<match value="gnl|" type="string" offset="1"/>
<match value="lcl|" type="string" offset="1"/>
<match value="pat|" type="string" offset="1"/>
<match value="pdb|" type="string" offset="1"/>
<match value="pir||" type="string" offset="1"/>
<match value="prf||" type="string" offset="1"/>
<match value="ref|" type="string" offset="1"/>
<match value="sp|" type="string" offset="1"/>
</match>
</magic>
http://www.ncbi.nlm.nih.gov/blast/fasta.shtml,
http://www.ebi.ac.uk/help/formats.html,
http://en.wikipedia.org/wiki/Fasta_format
chemical/x-galactic-spc Galactic SPC data *.spc
https://ftirsearch.com/features/converters/SPCFileFormat.htm,
http://web.archive.org/web/20021201230302/www.galactic.com/instruments/spc.htm,
http://www.adeptscience.co.uk/products/lab/grams32/instruments/gspc_udf.pdf
chemical/x-gaussian-checkpoint
Sub-class of:
text/plain
Gaussian Checkpoint file *.fch, *.fchk
http://gaussian.com/tech_top_level.htm
chemical/x-gaussian-cube Gaussian Cube (wavefunction) file *.cub
http://gaussian.com/tech_top_level.htm,
http://www.nersc.gov/nusers/resources/software/apps/chemistry/gaussian/g98/00000430.htm,
http://local.wasp.uwa.edu.au/~pbourke/dataformats/cube/
chemical/x-gcg8-sequence
Sub-class of:
text/plain
GCG 8 sequence file *.gcg, *.gcg8
<magic priority="50">
<match value="!!AA_SEQUENCE 1.0\n" type="string" offset="0"/>
<match value="!!NA_SEQUENCE 1.0\n" type="string" offset="0"/>
<match value="GCG8 format protein sequence\n\nGCG8" type="string" offset="0"/>
</magic>
http://www.biobind.com/faq/emboss/formats.html
chemical/x-gulp-input
Sub-class of:
text/plain
GULP input *.gin
http://www.ivec.org/GULP/help/gulp_30_manual/gulpnode55.html,
http://www.ivec.org/GULP/help/examples.html
chemical/x-isostar
Sub-class of:
chemical/x-mol2
IsoStar Library of Intermolecular Interactions *.ist, *.istr
<magic priority="50">
<match value="# Isostar Scatter Plot" type="string" offset="0"/>
</magic>
http://www.ccdc.cam.ac.uk/products/csd_system/isostar/,
http://www.ccdc.cam.ac.uk/support/documentation/isostar/portable/isostar_portable-3-074.html
chemical/x-kinemage
Sub-class of:
text/plain
Alias(s):
application/kinemage
Kinemage protein image *.kin
<magic priority="50">
<match value="<title>" type="string" offset="0">
<match value="\n@text" type="string" offset="17:240"/>
<match value="\n@kinemage" type="string" offset="17:240"/>
</match>
<match value="@text" type="string" offset="0"/>
<match value="@kinemage" type="string" offset="0"/>
</magic>
http://kinemage.biochem.duke.edu/kinemage/magepage.php,
http://kinemage.biochem.duke.edu/kinemage/magehelp.php#pt50,
http://suna.biochem.duke.edu/downloads/PDFs/format-kinemage.pdf
chemical/x-macmolecule
Sub-class of:
text/plain
MacMolecule file *.mcm
http://web.archive.org/web/20020224015619/http://www.molvent.com/support/filespec.html
chemical/x-macromodel-output
Sub-class of:
text/plain
MacroModel output *.dat, *.out
http://www.columbia.edu/cu/chemistry/mmod/mmod.html
chemical/x-mdl-xdfile
Sub-class of:
application/xml
MDL XML data *.xd
<magic priority="50">
<match value="<XDfile" type="string" offset="0:64"/>
</magic>
<root-XML namespaceURI="http://www.mdl.com/XDfile/NS" localName="XDfile"/>
http://www.mdl.com/downloads/public/ctfile/ctfile.pdf
chemical/x-mif
Sub-class of:
text/plain
MIF document *.mif
http://pubs.acs.org/cgi-bin/abstract.cgi/jcisd8/1995/35/i03/f-pdf/f_ci00025a009.pdf?sessid=6006l3
chemical/x-molconn-Z
Sub-class of:
text/plain
Molconn-Z file *.b
chemical/x-mopac-vib
Sub-class of:
text/plain
MOPAC vibration data *.mvb
http://cc-ipcp.icp.ac.ru/mopac93.pdf
chemical/x-pdbml
Sub-class of:
application/xml
PDBML document *.pdbml
<magic priority="50">
<match value="<PDBx:datablock" type="string" offset="0:64"/>
<match value="<datablock" type="string" offset="0:64"/>
</magic>
<root-XML namespaceURI="http://deposit.pdb.org/pdbML/pdbx.xsd" localName="PDBx:datablock"/>
<root-XML namespaceURI="http://deposit.pdb.org/pdbML/pdbx.xsd" localName="datablock"/>
http://pdbml.rcsb.org/
chemical/x-qchem-input
Sub-class of:
text/plain
Q-Chem input *.qcin
http://www.q-chem.com/technical-info.htm
chemical/x-qchem-output
Sub-class of:
text/plain
Q-Chem output *.qcout
<magic priority="50">
<match value="Welcome to Q-Chem" type="string" offset="20">
<match value="A Quantum Leap Into The Future Of Chemistry" type="string" offset="41"/>
</match>
</magic>
http://www.q-chem.com/technical-info.htm
chemical/x-rosdal ROSDAL Universal Structure file *.ros
chemical/x-swissprot
Sub-class of:
text/plain
SWISS-PROT protein sequence *.sw, *.swiss, *.swissprot
<magic priority="50">
<match value="ID " type="string" offset="0"/>
</magic>
http://www.expasy.ch/cgi-bin/keywlist.pl,
http://ca.expasy.org/sprot/userman.html,
http://www.ebi.ac.uk/help/formats.html
chemical/x-turbomole-basis
Sub-class of:
text/plain
Turbomole basis set basis
<magic priority="50">
<match value="$basis\n" type="string" offset="0"/>
</magic>
http://www.cosmologic.de/data/DOK_HTML/
chemical/x-turbomole-control
Sub-class of:
text/plain
Turbomole control file control
<magic priority="50">
<match value="$title\n" type="string" offset="0"/>
<match value="$operating system unix\n" type="string" offset="0"/>
</magic>
http://www.cosmologic.de/data/DOK_HTML/,
http://www.cosmologic.de/data/DOK_HTML/node230.html
chemical/x-turbomole-coord
Sub-class of:
text/plain
Turbomole coordinate file coord, *.tmol
<magic priority="50">
<match value="$coord\n" type="string" offset="0"/>
</magic>
http://www.cosmologic.de/data/DOK_HTML/
chemical/x-turbomole-grad
Sub-class of:
text/plain
Turbomole gradient file gradient
<magic priority="50">
<match value="$grad " type="string" offset="0"/>
</magic>
http://www.cosmologic.de/data/DOK_HTML/
chemical/x-turbomole-input
Sub-class of:
text/plain
Turbomole calculation input turbo.in
<magic priority="50">
<match value="%method\n" type="string" offset="0">
<match value="ENRGY :: " type="string" offset="8"/>
<match value="FORCE :: " type="string" offset="8"/>
<match value="GEOMY :: " type="string" offset="8"/>
<match value="GRADI :: " type="string" offset="8"/>
</match>
</magic>
http://www.cosmologic.de/data/DOK_HTML/,
http://www.cosmologic.de/data/DOK_HTML/node23.html
chemical/x-turbomole-jbas
Sub-class of:
text/plain
Turbomole auxiliary basis set auxbasis
<magic priority="50">
<match value="$jbas " type="string" offset="0"/>
</magic>
http://www.cosmologic.de/data/DOK_HTML/
chemical/x-turbomole-scfmo
Sub-class of:
text/plain
Turbomole SCF MO file mos
<magic priority="50">
<match value="$scfmo " type="string" offset="0"/>
</magic>
http://www.cosmologic.de/data/DOK_HTML/
chemical/x-turbomole-vibrational
Sub-class of:
text/plain
Turbomole vibrational data ???
http://www.cosmologic.de/data/DOK_HTML/
chemical/x-vamas-iso14976
Sub-class of:
text/plain
VAMAS document *.vms
<magic priority="50">
<match value="VAMAS Surface Chemical Analysis Standard Data Transfer Format 1988 May 4" type="string" offset="0"/>
</magic>
http://www.vamas.org/,
http://www.npl.co.uk/nanoanalysis/vamas1.html,
http://www.iso.org/iso/en/CatalogueDetailPage.CatalogueDetail?CSNUMBER=24269
chemical/x-xtel
Sub-class of:
text/plain
Xtelplot file *.xtel

There might be more MIME types, that simply were not yet added to the database. If you know one missing, just let us know.

References

The tables contain references to specifications, standards and papers, that were used. So the following list are generic resources, that were used too.

  1. »The Chemical MIME Home Page« by Henry Rzepa.