openmolecules.org Forum: Bug Reports

Home » DataWarrior » Bug Reports » Stereo issue? (Conversion from Smiles to MOL: missing stereo center)

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

Re: Stereo issue? [message #119 is a reply to message #116]

Tue, 10 November 2015 15:54

thomas
Messages: 732
Registered: June 2014

Senior Member

This is indeed a little tricky. But it is a problem of the CoordinateInventor and not of the SmilesParser.
Generating coordinates is a never ending story. Paul Labute has once written a nice paper about it...

Best wishes,

Thomas

Report message to a moderator

[Message index]

		Stereo issue? By: bruno.b on Mon, 01 June 2015 01:49
		Re: Stereo issue? By: thomas on Thu, 18 June 2015 20:50
		Re: Stereo issue? By: bruno.b on Thu, 05 November 2015 10:23
		Re: Stereo issue? By: thomas on Tue, 10 November 2015 15:54

Previous Topic:	copy/paste from ChemBioDraw 14 to latest DW causes crash
Next Topic:	Macros

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Aug 20 13:32:54 CEST 2025

Total time taken to generate the page: 0.05965 seconds