Utilities Menu

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spreadsheet utilities menu.png

Provides several convenient tools for processing the structures of the compounds contained in the spreadsheet:

  1. Remove explicit H - Removes all explicitly drawn hydrogen atoms (converts them to the implicit form).
    RemoveExplicitH.png

  2. Desalt - If the structure corresponds to a salt, removes the smaller counterion, and if possible, converts the remaining ion into a neutral form.
    Desalt.png

  3. Clean structure - Automatically re-assigns 2D coordinates of atoms in order to provide the drawn structure a more visually appealing ("clean") look.
    CleanStructure.png

  4. Check tautomers - Detects possible tautomeric forms of all compounds in the spreadsheet, and for each compound that has more than one form, displays a dialog box that allows selecting which form to keep in the project:

    Select Tautomeric Form.png

    1. Navigate through all possible tautomers.
    2. Indicates whether the currently displayed tautomer is a major, minor, or a conditions-dependent form.
    3. Check the box to automatically select the predominant or canonical tautomeric form for all subsequent compounds in the project.