Convert from SMILES (to Structure)

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The SMILES strings in a selected range can be converted to structures by a mouse-click.

  1. Select cells (or a whole column) which contain SMILES strings.
  2. Click on the Convert From SMILES button. Ribbon.FromSMILES

 

       The Convert From SMILES button is in the Advanced JChem ribbon:

       Cells.FromSMILES1

 

  1. The strings are converted into structures. The system resizes the cells to the default size automatically before converting SMILES string to structure if the value of the Resize to Default option is set to TRUE. The unsaved modifications cannot be revoked by Undo function after converting SMILES string to structure in this case (it is an Excel feature).

 

       Cells.FromSMILES3

 

If any textual data have been selected, which cannot be recognized as a SMILES string, a Warning message will appear informing the user that some input data cannot be recognized and converted. (This message will appear only if the appropriate option: ConvertFromStructureAction - Display Statistics has been set to "Display Warnings".

 

It is also possible to keep the original SMILES strings in the original column and insert a new column for the structures. The value of the ConvertToStructureAction - Placement options has to be set to InsertRight in the Options.

 

       Cells.FromSMILES4

 

You can reach this function from right-click context menu as well:

 

Cells.FromSMILES5


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