MM-GBSA Residue Scanning — Potential Mutants Dialog Box

Select the mutations to use in the residue scanning run, from all the potential mutants defined by the mutations set up in the MM-GBSA Residue Scanning Panel.

To open this dialog box, click the Preview button in the MM-GBSA Residue Scanning Panel.

  • Using
  • Features
  • Additional Resources

Using the Potential Mutants Dialog Box

There are several ways of choosing mutants for the residue scanning job:

  • Check or uncheck the items in the Use column of the mutants table.

  • Select rows of mutants and use the right-click menu to include or exclude the mutants.

  • Restrict the mutations by the number of simultaneous mutations allowed, using the Select mutations button menu.

Potential Mutants Dialog Box Features

Select mutations button menu

Select classes of mutations to use. The list that is displayed when you click the button allows you to select All mutants or None, or select mutants by the number of simultaneous mutations, with a check box for each number. The choice is displayed on the button when the list is closed. Click outside the list to close it. The items available depend on whether the Allow simultaneous mutations option is selected in the MM-GBSA Residue Scanning Panel.

Mutants table

This table lists the mutants that are generated from the residues chosen for mutation and the mutations selected for those residues in the main panel. The list depends on whether the Allow simultaneous mutations option is selected in the MM-GBSA Residue Scanning Panel.

The Use column contains a list of check boxes that you can use to select or deselect mutations. It is updated when you make choices from the Select mutations button menu; you can then refine the choice of mutations by checking or unchecking the boxes.

You can select rows in the table, and use the right-click menu to modify the choice of mutations. The items on this menu depend on the state of the Use check boxes in the selected rows.

  • Include Selected—include the selected rows in the choice of mutations (check the boxes in the Use column)
  • Exclude Selected—exclude the selected rows from the choice of mutations (uncheck the boxes)
  • Include Selected Only—Use only the selected rows for the mutations (check the boxes for the selected rows and uncheck all the others).
Report on mutations

The number of mutations chosen and the total number are reported below the table, along with the maximum number of simultaneous mutations.

Save button

Save the selection as the set of mutations to be run, and close the dialog box.

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