Atom Lists and NOT Lists in MarvinSketch

    MarvinSketch allows you to add Atom lists and NOT lists. An Atom list is a user-defined list of elements included in a structure. A NOT list is a query atom that allows you to define a list of elements that must not be included in the structure.

    Both can be edited by using the Atom Label Editor.

    Overwrite an Atom

    1. Move your mouse over an atom or select one or multiple atoms.
    2. Start typing chemical symbols separated by commas.
    3. The Atom list/NOT list replaces the atoms.

    Edit Atom Labels

    1. Select the Atom Label Editor.
    2. Click on the atom you want to change.
    3. Type the chemical symbols separated by commas and enclosed by square brackets.

    Create a List on the Canvas

    1. Start typing chemical symbols separated by commas. Use backspace to delete.
    2. The Atom list/NOT list is displayed in the upper left corner of the canvas and at the tip of the cursor.
    3. Click on the query atom you want to add this Atom list/NOT list.

    Create a List through the Periodic Table

    1. Open the Periodic Table.
    2. Click the Atom list/NOT list button.
    3. Select the elements to be included in the list.
    4. Click on the query atom you want to add this Atom list/NOT list.