Recalculate Molecular Properties Dialog Box

Recalculate values of entry properties that were generated from the structures using the Add Standard Molecular Property Panel.

To open this dialog box:

  • In the Project Table panel, choose Data → Edit Properties → Recalculate Molecular Properties
  • Features
  • Additional Resources

Recalculate Molecular Properties Dialog Box Features

Select one or more properties to recalculate list

Select the properties you want to recalculate from this list. The list includes only those properties that were generated from the structures using the Add Standard Molecular Property Panel.

Recalculate existing values option

If this option is selected, calculating a property that already exists replaces the property values with new values. If it is not selected and the property exists, the property will be calculated only for the entries that do not already have values.

This option is selected and unavailable for change, as recalculating existing values is the action performed in this dialog box.

Update selected entries only option

Update the property values only for the selected entries. By default, the values are updated for all entries.

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