openmolecules.org Forum: Functionality » Problemin exporting structures as SMILES generated from evolutionary library into excel

Home » DataWarrior » Functionality » Problemin exporting structures as SMILES generated from evolutionary library into excel (Generating SMILES from structures found in Datawarrior - problem in export)

Show: Today's Messages :: Polls :: Message Navigator

Re: Problemin exporting structures as SMILES generated from evolutionary library into excel [message #1346 is a reply to message #1344]

Mon, 19 July 2021 09:53

thomas
Messages: 741
Registered: June 2014

Senior Member

You can generate a column containing SMILES from the 'Chemistry' menu with 'From Chemical Structure->Add SMILES Code...'.
Then Copy/Paste or 'Save Special->Text File...' will include the SMILES column.

Thomas

Report message to a moderator

[Message index]

		Problemin exporting structures as SMILES generated from evolutionary library into excel By: Jo W on Sun, 18 July 2021 10:44
		Re: Problemin exporting structures as SMILES generated from evolutionary library into excel By: thomas on Mon, 19 July 2021 09:53

Previous Topic:	Axis
Next Topic:	colouring of selected datapoints

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon Dec 08 03:38:36 CET 2025

Total time taken to generate the page: 0.47825 seconds