Setting Atomic Charges

The formal (integer) Atomic Charge of an atom may be specified in several ways, including:

 

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In DRAW or EDIT mode, click on the atom with the right-hand mouse button, pick Charge from the resulting pull-down menu, then select the charge required from the second pull-down menu. Unspecified in this menu means that any charge is allowed. Any+/- means any non-zero charge. Clicking on Other... opens up a dialogue box which allows the specification of variable charges. The example below specifies that the atom must have a charge of -1 or -2.

 

•	In DRAW or EDIT mode, click on Atoms in the top-level menu, select Charge from the resulting pull-down menu, then pick the required charge as above. The Select Atoms pop-up appears, click on the atom(s) to which the charge is to be assigned and hit Done.

•	In EDIT mode, select (see Selecting Atoms and Bonds) the atom(s) to which a charge is to be assigned. Then hit Atoms in the top-level menu, Charge in the resulting pull-down menu, and pick the required charge as above.