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#### selection from an expression string

To perform a deuteration selection from an expression string, you have to click on the from an expression string radiobutton. A dialog will be displayed in the underneath frame from which you will enter a valid Python expression that must declare the selection variable as a list of atoms of the loaded universe. The variable self.universe will be used as a reference for that universe (see Fig. 4.28).

Figure 4.28: The deuteration selection dialog for a selection from an expression string.

Once an expression string has been entered press Return to register it. The constructed selection string that will be used by nMOLDYN for this kind of selection will be displayed in the Selection preview entry at the bottom of the dialog with highlighted keywords.

Whatever the selection media used, in case where non-hydrogens atoms were accidently introduced in the deuteration selection, nMOLDYN will filtered them out from the resulting selection.

Next: Group selection Up: Deuteration selection Previous: selection from the loaded Contents