It is possible to clean structures in either 2D or 3D.
{primary} Cleaning in 3D can lead to stereoinformation loss (atropisomerism) or creation (chirality not defined in 2D).
Cleaning calculates new coordinates for the atoms. Generating conformers and choosing the favored one is also supported. For more information about molecule cleaning, see cleaning options.
The table below lists the Clean 2D actions.
| Name | Shortcut | Description |
|---|---|---|
| Clean in 2D | Ctrl+2 | Calculates new 2D coordinates for the molecule. |
| Clean and Arrange in 2D | Ctrl+Shift+2 | Cleans the molecules and places them in the center of the canvas.This type of clean uses the set templates for cleaning of the molecules. |
| Hydrogenize Chiral Center | N/A | Adds explicit hydrogen with a wedge bond to chiral centers which have no terminal atoms as substituents. |
{info} Clean in 2D works as Clean and Arrange in 2D if the structure contains an amino acid, a coordinate bond, or a position variation bond.
Cleans the molecules in 3D. It is possible to specify the cleaning method. For information about the various cleaning methods, see the 3D Options tab.