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Smiles to Structure [message #1006] Fri, 24 July 2020 08:10 Go to next message
sbembenek18 is currently offline  sbembenek18
Messages: 32
Registered: April 2019
I have a Smiles column that I would like to display as the actual structures. So, I created a structure column (one already exists) and attempted to past the smiles column into the structures column but to no avail. I know such a thing is possible one at a time, but I'd like to accomplish this all at once.
Re: Smiles to Structure [message #1009 is a reply to message #1006] Fri, 24 July 2020 11:01 Go to previous message
nbehrnd is currently offline  nbehrnd
Messages: 51
Registered: June 2019
Let's say you have a text column with the SMILES strings for which you want to see as the 2D structures. With Chemistry -> Add Structure From Name, a new menu will be shown to you where you specify the column DW shall access for this processing. As intended, this then will consider all of the entries at once with the generation of an additional column.

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