Select, calculate and view properties

The window 'Select properties' can be opened by clicking the shortcut icon_select in the tool bar. The user can select the properties of interest by checking the corresponding check boxes. Additional fields loaded from the molecule structure files can be displayed (when available).

 

window_dproperties_descriptors

 

Calculation of molecular properties is automatically performed when molecules are loaded. During property calculation, a progress bar will appear at the bottom of the dProperties graphical interface, indicating the elapsed and remaining time of calculation.

 

At the end of calculation, values of the calculated molecular properties can be analysed in the property list. The information about performed calculation is shown in the Status bar.