Analysis box tab

    MarvinSketch can calculate some basic properties for your structures, which can be pasted into your drawing.

    The calculations update upon modification except if they applied to a selection. For more information see Analysis Box

    You can set the properties you want to be displayed and their order as well.

    Calculated properties:

    • Name

    • Traditional name

    • Molecular weight

    • Formula

    • Formula with charge

    • Exact mass

    • Dot-disconnected formula

    • Dot-disconected formula with charge

    • Isotope composition

    • m/z distribution

    The decimals setting applies to the exact mass value only.

    By default the value of molecular weight is set to three decimal places.