Chemical data

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File Format
Name Chemical data
Ontology

This page is out of date. Refer to Scientific Data formats#Chemical instead.

Electronic Formats concerned with Chemical Data.

  • CHM (ChemDraw file format)
  • CIF (Crystallographic Information File, standardised by IUCr)
  • CML (Chemical markup language)
  • MOL (MDL Molfile)
  • MOP (MOPAC format)
  • PDB (Protein Data Bank)
  • SDF (Structure Data File)

Chemical data may be distinguished in various ways, including Chemical MIME types.

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