HIN (.hin)

  • Import fully supports HyperChem HIN files.
  • Background

      MIME type: chemical/x-hin
      HyperChem HIN format.
      Used in cheminformatics applications and on the web for storing and exchanging 3D molecule models.
      Plain text tabular format.
      Stores atomic coordinates, chemical bond information, and metadata.
      Maintained by HyperCube, Inc.

    Import and Export

    • Import["file.hin"] imports a molecule model or a structure diagram from a molfile.
    • Export["file.hin",expr] exports elements of a molecule model to a molfile.
    • Import["file.hin"] gives a list of Graphics3D objects when reading an HIN file.
    • Import["file.hin",elem] imports the specified element from a molfile.
    • Import["file.hin",{elem,suba,subb,}] imports a subelement.
    • Import["file.hin",{{elem1,elem2,}}] imports multiple elements.
    • The import format can be specified with Import["file","HIN"] or Import["file",{"HIN",elem,}].
    • See the reference pages for full general information on Import.
    • ImportString supports the HIN format.


    • General Import elements:
    • "Elements"list of elements and options available in this file
      "Rules"full list of rules for each element and option
      "Options"list of rules for options, properties, and settings
    • Graphics elements:
    • "Graphics3D"3D renderings of the molecules in an HIN file
      "StructureDiagram"2D structure formula
    • Import by default uses the "Graphics3D" element HIN files.
    • Data representation elements:
    • "EdgeRules"connectivity data, given as an array of rules
      "EdgeTypes"bond types, given as an array of strings
      "FormalCharges"electric charges of the atoms, given as an array of integers
      "MassNumbers"isotope mass numbers
      "VertexCoordinates"3D atomic coordinates, typically given in picometers
      "VertexTypes"all atoms or groups constituting the molecules, typically given as an array of chemical element abbreviations


    • General Import options:
    • ImageSizeAutomaticspecifies the overall size of the graphics to display
      BackgroundWhitespecifies what background color to use
      ViewPointAutomaticpoint in space from which the 3D model is to be viewed
    • With the default setting "ViewPoint"->Automatic, the Wolfram Language automatically calculates the optimal viewing angle for the imported molecule geometry.
    • Selecting a 3D rendering style:
    • "Rendering""BallAndStick"specifies the visualization method
    • Possible settings for "Rendering" are:
    • "BallAndStick"displays atoms and bonds as a ball-and-stick model
      "Spacefilling"atoms shown as overlapping spheres
      "Wireframe"bonds rendered as lines


    Basic Examples  (1)

    Show the Import elements available in an HIN file:

    Click for copyable input

    Import a 3D molecule model as a ball-and-stick model:

    Click for copyable input

    Show the bonds of the same molecule as a wireframe model:

    Click for copyable input

    Show the same molecule as space-filling atoms:

    Click for copyable input

    See Also

    "MOL"  "PDB"  "SDF"  "XYZ"

    Introduced in 2012