You can either identify the point group of a structure or clean up a structure's geometry. Figure 62 . A label identifying the point group symmetry of the structure is displayed. Find point group Select Find point group and select Apply to find the point group for a structure within the specified tolerance. Clean up symmetry Select Clean up symmetry and then select Apply to modify the geometry of the structure to match the specified point group.
Tolerance Specify a tolerance to be used for the find point group function.
Select the type-in box and modify the value. In some cases you may want to clean up a structure so that it has a particular point group symmetry. Use the following iterative procedure to clean up the symmetry of a structure which is nearly symmetrical. The program will determine the appropriate point group of molecule and display the results in the dialog. Repeat this procedure with different tolerance values until the desired point group is found.