This page provides a concise entry point for various information sources relating to chemical MIME (Multipurpose Internet Mail Extension). This page is present for historical reasons only. Please visit https://en.wikipedia.org/wiki/Chemical_file_format for the current version.
Background: This project started in January 1994, and was first announced during the Chemistry workshop at the First WWW International Conference, held at CERN in May 1994. The first version of an Internet draft was published during May-October 1994, and the second revised version during April-September 1995. A paper presented to the CPEP (Committee on Printed and Electronic Publications) at the IUPAC meeting in August 1996 is available for discussion.
New: The openBabel Project now supports chemical MIME: http://openbabel.sf.net/Roadmap.shtmlChemical MIME Types, with examples (see also HTML Test pages) | Global search String: chemdig, rzepa | ||||
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Type | Filename extension |
Description | Example File | Unique Search String | Source of Information/Display Program |
application/pdf | Adobe PDF format | example.pdf | Heilbronner | http://www.adobe.com/ | |
chemical/x-alchemy | alc | Alchemy format | example.alc | example_alc | http://www.camsoft.com/plugins/ |
chemical/x-cache-csf | csf | example.csf | example_csf | ||
chemical/x-cactvs-binary | cbin | CACTVS binary format | example.cbin | http://cactvs.cit.nih.gov | |
chemical/x-cactvs-binary | cascii | CACTVS ascii format | example.cascii | example_cascii | http://cactvs.cit.nih.gov |
chemical/x-cactvs-binary | ctab | CACTVS table format | example.ctab | http://cactvs.cit.nih.gov | |
chemical/x-cdx | cdx | ChemDraw eXchange file | example.cdx | http://www.camsoft.com/plugins/ | |
chemical/x-cerius | cer | MSI Cerius II format | example.cer | example_cer | http://www.msi.com/ |
chemical/x-chemdraw | chm | ChemDraw file | example.chm | http://www.camsoft.com/plugins/ | |
chemical/x-cif | cif | Crystallographic Interchange Format | example.cif | example_cif | http://www.bernstein-plus-sons.com/software/rasmol/ http://ndbserver.rutgers.edu/NDB/mmcif/examples/index.html |
chemical/x-mmcif | mcif | MacroMolecular CIF | example.mcif | example_mcif | http://www.bernstein-plus-sons.com/software/rasmol/ http://ndbserver.rutgers.edu/NDB/mmcif/examples/index.html |
chemical/x-chem3d | c3d | Chem3D Format | example.c3d | CambridgeSoft | |
chemical/x-cmdf | cmdf | CrystalMaker Data format | example.cmdf | example_cmdf | http://www.crystalmaker.co.uk/ |
chemical/x-compass | cpa | Compass program of the Takahashi | example.cpa | ||
chemical/x-crossfire | bsd | Crossfire file | example.bsd | example_bsd | |
chemical/x-cml | cml | Chemical Markup Language | example.cml | http://cml.sourceforge.net/ | |
chemical/x-csml | csml, csm | Chemical Style Markup Language | example.csml | http://www.mdli.com/ | |
chemical/x-ctx | ctx | Gasteiger group CTX file format | example.ctx | example_ctx | |
chemical/x-cxf | cxf | example.cxf | |||
chemical/x-daylight-smiles | smi | Smiles Format | example.smi | example_smi | http://www.daylight/dayhtml/smiles/index.html |
chemical/x-embl-dl-nucleotide | emb | EMBL nucleotide format | example.emb | example_emb | http://mercury.ebi.ac.uk/ |
chemical/x-galactic-spc | spc | SPC format for spectral and chromatographic data. | example.spc | http://www.galactic.com/galactic/ Data/spcvue.htm |
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chemical/x-gamess-input | inp, gam | GAMESS Input format | example.inp | example_inp | http://www.msg.ameslab.gov/GAMESS/Graphics/MacMolPlt.shtml |
chemical/x-gaussian-input | gau | Gaussian Input format | example.gau | example_gau | http://www.mdli.com/ |
chemical/x-gaussian-checkpoint | fch,fchk | Gaussian Checkpoint format | example.fch | http://products.camsoft.com/ | |
chemical/x-gaussian-cube | cub | Gaussian Cube (Wavefunction) format | example.cub | http://www.mdli.com/ | |
chemical/x-gcg8-sequence | gcg | example.gcg | example_gcg | ||
chemical/x-genbank | gen | ToGenBank format | example.gen | example_gen | http://www2.ebi.ac.uk:80/egcg-html/ |
chemical/x-isostar | istr, ist | IsoStar Library of intermolecular interactions | example.istr | example_istr | http://www.ccdc.cam.ac.uk/ |
chemical/x-jcamp-dx | jdx, dx | JCAMP Spectroscopic Data Exchange Format | example.dx | example_dx | http://www.mdli.com/ |
chemical/x-kinemage | kin | Kinetic (Protein Structure) Images | example.kin | example_kin |
http://www.faseb.org/protein/kinemages/ MageSoftware.html |
chemical/x-macmolecule | mcm | MacMolecule File Format | example.mcm | example_mcm | http://www.molvent.com/ |
chemical/x-macromodel-input | mmd, mmod | MacroModel Molecular Mechanics | example.mmd | example_mmd | http://www.columbia.edu/cu/chemistry/ mmod/mmod.html |
chemical/x-mdl-molfile | mol | MDL Molfile | example.mol | example_mol | http://www.mdli.com/ |
chemical/x-mdl-rdfile | rd | Reaction-data file | example.rd | example_rd | http://www.mdli.com/ |
chemical/x-mdl-rxnfile | rxn | MDL Reaction format | example.rxn | example_rxn | http://www.mdli.com/ |
chemical/x-mdl-sdfile | sd | MDL Structure-data file | example.sd | example_sd | http://www.mdli.com/ |
chemical/x-mdl-tgf | tgf | MDL Transportable Graphics Format | example.tgf | example_tgf | http://www.mdli.com/ |
chemical/x-mif | mif | example.mif | |||
chemical/x-mol2 | mol2 | Portable representation of a SYBYL molecule | example.mol2 | example_mol2 | http://www.tripos.com/TechBriefs/mol2_format/mol2.html |
chemical/x-molconn-Z | b | Molconn-Z format | example.b | example_b | http://www.eslc.vabiotech.com/molconn/molconnz.html |
chemical/x-mopac-input | mop | MOPAC Input format | example.mop | example_mop | http://www.mdli.com/ |
chemical/x-mopac-graph | gpt | MOPAC Graph format | example.gpt | http://products.camsoft.com/ | |
chemical/x-ncbi-asn1 | asn (old form) | example.asn | |||
chemical/x-ncbi-asn1-binary | val | example.val | |||
chemical/x-pdb | pdb | Protein DataBank | example.pdb | example_pdb | http://www.mdli.com/ |
chemical/x-swissprot | sw | SWISS-PROT protein sequence database | example.sw | example_sw | http://www.expasy.ch/spdbv/text/download.htm |
chemical/x-vamas-iso14976 | vms | Versailles Agreement on Materials and Standards | example.vms | example_vms | http://www.acolyte co uk/JISO/ |
chemical/x-vmd | vmd | Visual Molecular Dynamics | example.vmd | http://www.ks.uiuc.edu/Research/vmd/ | |
chemical/x-xtel | xtel | Xtelplot file format | example.xtel | example_xtel | http://www.iumsc.indiana.edu/graphics/xtelplot/xtelplot.htm |
chemical/x-xyz | xyz | Co-ordinate Animation format | example.xyz | example_xyz | http://www.mdli.com/ |
Click here to view the log file of the chemical files found and indexed from this search
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For additions to this page, please contact Henry Rzepa (rzepa@ic.ac.uk)
Last modified November 15, 2016.