Analysis Box

    The analysis box is a preset of basic calculations on the canvas directly.


    It can be accessed through Structure > Place Analysis Box or by using the Ctrl+I shortcut.

    The following options are available:

    • Name

    • Traditional name

    • Molecular weight

    • Formula

    • Formula with charge

    • Exact mass

    • Dot-disconnected formula

    • Dot-disconnected formula with charge

    • Isotope composition

    • m/z distribution

    You can format your analysis box in the Analysis Box Tab of the Preferences dialogue globally for the whole document or from the context menu of the box choosing the Edit Analysis Box option.


    It is possible to calculate the selected values for molecules, selection (only one single molecule), reactions.

    The structures containing alias atoms are calculated considering the underlying atom.

    {primary} Upon changes, the values get refreshed except the analysis boxes created from a selection. When an analysis box of this kind is placed, a notification appears regarding this.

    Analysis boxes can be copied as formatted text boxes.