Analysis Box Tab

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

images/download/attachments/1804061/Preferences_Analysis_Box_Tab.png

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

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

The following properties can be calculated:

  • Name

  • Traditional name

  • Molecular weight

  • Formula

  • Formula with charge

  • Exact mass

  • Dot-disconnected formula

  • Dot-disconnected 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.