openmolecules.org Forum: Functionality » Can you disable SMILES conversion?

Home » DataWarrior » Functionality » Can you disable SMILES conversion?

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

Re: Can you disable SMILES conversion? [message #1171 is a reply to message #1168]

Tue, 08 December 2020 17:30

thomas
Messages: 747
Registered: June 2014

Senior Member

If you just give your TAB delimited text file the '.dwar' extention, then DataWarrior doesn't try to convert SMILES codes. A content sample would be: (your file could even contain chemical structure as idcodes, which would be recognized, if the column name ends with ' [idcode]' Wink

ID Smiles
1 CCOCC
2 CCCO
3 CCO

Report message to a moderator

[Message index]

		Can you disable SMILES conversion? By: zsolt on Mon, 07 December 2020 12:40
		Re: Can you disable SMILES conversion? By: thomas on Tue, 08 December 2020 17:30
		Re: Can you disable SMILES conversion? By: zsolt on Tue, 15 December 2020 00:32
		Re: Can you disable SMILES conversion? By: thomas on Sat, 19 December 2020 12:36

Previous Topic:	Exporting Macros
Next Topic:	Molecules representative within a cluster

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon Aug 17 07:45:27 CEST 2026

Total time taken to generate the page: 0.00649 seconds