Manually changing the charge of an atom

You may click on any atom group whose charges you think most appropriate to change. The atom group circled in red will be used as an example.

../_images/selected_atom.png

Once you have clicked on an atom group, its information will appear in a window to the left.

../_images/change_charge_window.png

This particular atom group consists of a carbon and a hydrogen atom. To modify the charge of a specific atom within the selected atom group, click the ‘Edit’ button of that atom. Here, the charge of the hydrogen atom is being modified.

../_images/edit_charge.png

You can then type a new charge into the input box.

../_images/modify_charge.png

Click ‘Apply’ to confirm the change.

../_images/apply_charge.png