openmolecules.org Forum: Functionality » Rendering structures from SMILES

Home » DataWarrior » Functionality » Rendering structures from SMILES (SMILES)

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

Rendering structures from SMILES [message #263]

Wed, 05 April 2017 19:28

jwfeng
Messages: 4
Registered: March 2017

Junior Member

Hi,

My SD file contains SD tag with SMILES strings as values. Is there a way to render them as structures in DW? Attached is a simple example of what I want to do. The Structure column display what's in the MOL block, the r-group smiles column should render the SMILES string as a structure instead of displaying it as text.

Thanks,

JW

Attachment: Screen Shot 2017-04-05 at 10.26.34 AM.png
(Size: 7.67KB, Downloaded 1052 times)

JW Feng

Report message to a moderator

[Message index]

		Rendering structures from SMILES By: jwfeng on Wed, 05 April 2017 19:28
		Re: Rendering structures from SMILES By: thomas on Wed, 05 April 2017 21:13
		Re: Rendering structures from SMILES By: jwfeng on Mon, 01 May 2017 07:25

Previous Topic:	Extensibility
Next Topic:	LLE column doesn't update with new compound data

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Feb 18 15:31:38 CET 2026

Total time taken to generate the page: 0.00714 seconds