Atom List and NOT List

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.

Create an Atom List

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 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 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.

Create a List through the Periodic Table

  1. Open the Periodic Table.

  2. Click the Atom 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.

How to Create a NOT List

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 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 NOT List on the Canvas

  1. Type an exclamation mark followed by the chemical symbols separated by commas. Use backspace to delete.

  2. The 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 NOT list.

Create a NOT List through the Periodic Table

  1. Open the Periodic Table.

  2. Click the NOT list button.

  3. Select the elements to be included in the NOT list.

  4. Click on the query atom you want to add this NOT list.