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 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.