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  2. Chemical file format - Wikipedia

    en.wikipedia.org/wiki/Chemical_file_format

    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.

  3. Chemical table file - Wikipedia

    en.wikipedia.org/wiki/Chemical_table_file

    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.

  4. Category:Chemical file formats - Wikipedia

    en.wikipedia.org/wiki/Category:Chemical_file_formats

    Pages in category "Chemical file formats" The following 17 pages are in this category, out of 17 total. This list may not reflect recent changes. ...

  5. Optical chemical structure recognition - Wikipedia

    en.wikipedia.org/wiki/Optical_chemical_structure...

    Optical chemical structure recognition (OCSR) is the translation of images that depict chemical structure information into machine-readable formats. [1] It addresses the challenge of translating chemical structures from graphical representations into their corresponding chemical formulas.

  6. XYZ file format - Wikipedia

    en.wikipedia.org/wiki/XYZ_file_format

    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]

  7. ChemDraw - Wikipedia

    en.wikipedia.org/wiki/ChemDraw

    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

  8. List of file formats - Wikipedia

    en.wikipedia.org/wiki/List_of_file_formats

    This is a list of file formats used by computers, ... Chemical table file (CTab).dx, .jdx – Joint Committee on Atomic and Molecular Physical Data (JCAMP)

  9. Mol - Wikipedia

    en.wikipedia.org/wiki/Mol

    Toggle Science and technology subsection. 6.1 Computing. ... .mol, the file extension of the MDL Molfile chemical file format; Mac-on-Linux, a virtualization software;