6.15 Build a molecule with SMILES

VEGA ZZ allows to build molecules from their SMILES strings, selecting Edit Build SMILES in the main menu. The 1D structure of the SMILES string is converted to 3D clicking the Build button. The user can select the Current workspace or a New workspace as Destination of the 3D structure.

 

SMILES Editor

 

When you edit the SMILES string, the 2D preview is automatically updated to show the changes.

If the current workspace is not empty, the Get button allows to convert the 3D structure to a SMILES string. The same operation is possible selecting Edit Copy special in the main menu and choosing SMILES, but the resulting string is copied to the clipboard instead of the SMILES window.