Convert to SMILES (from Structure)

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

 

  1. Select cells (or a whole column) which contain structures.
  2. Click on the Convert To SMILES button. Ribbon.ToSMILES

 

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

       Cells.ToSMILES1

 

  1. The strings are converted into SMILES strings.

 

       Cells.ToSMILES3

 

It is also possible to keep the original structures in the Structure column and insert a new column for the SMILES strings. In this case the value of the ConvertFromStructureAction - Placement option has to be set to InsertRight (instead of Replace) in the appropriate part of Options/Actions topic.

 

       Cells.ToSMILES4


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