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A chemical file format is a type of data file which is used specifically for depicting molecular data. One of the most widely used is the chemical table file format, which is similar to Structure Data Format files. They are text files that represent multiple chemical structure records and associated data fields.
Chemical table file (CT file) is a family of text-based chemical file formats that describe molecules and chemical reactions. One format, for example, lists each atom in a molecule, the x-y-z coordinates of that atom, and the bonds among the atoms.
Chemical file format; C. CCP4 (file format) CDX Format; CDXML; Chemical Markup Language; Chemical table file; Crystallographic Information File; H. Hierarchical ...
The native file formats for ChemDraw are the binary CDX and the preferred XML-based CDXML formats. ChemDraw can also import from, and export to, MOL , SDF , and SKC chemical file formats. Plugins
The XYZ file format is a chemical file format. There is no formal standard and several variations exist, but a typical XYZ format specifies the molecule geometry by giving the number of atoms with Cartesian coordinates that will be read on the first line, a comment on the second, and the lines of atomic coordinates in the following lines. [ 1 ]
FES (file format) – 3D Topicscape file, produced when a fileless occurrence in 3D Topicscape is exported to Windows. Used to permit round-trip (export Topicscape, change files and folders as desired, re-import them to 3D Topicscape) MGMF – MindGenius Mind Mapping Software file format; MM – FreeMind mind map file (XML)
The Protein Data Bank (PDB) file format is a textual file format describing the three-dimensional structures of molecules held in the Protein Data Bank, now succeeded by the mmCIF format. The PDB format accordingly provides for description and annotation of protein and nucleic acid structures including atomic coordinates, secondary structure ...
Chemical Markup Language (ChemML or CML) is an approach to managing molecular information using tools such as XML and Java. [1] It was the first domain specific implementation based strictly on XML , first based on a DTD [ 2 ] and later on an XML Schema , [ 3 ] the most robust and widely used system for precise information management in many areas.