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 #116 is a reply to message #66]

Thu, 05 November 2015 10:23

bruno.b
Messages: 13
Registered: October 2014
Location: Germaniy

Junior Member

It is indeed improved.

I tested further the SMILES to structure generator, Here is a SMILES that does not give good 2D coordinates: c1ccc(C23C(N(c4ccc(cc4)C)C(C2C2c4c(C3c3c2cccc3)cccc4)=O)=O)c c1

This is not an easy case.

Best regards,

Bruno

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: Thu Oct 29 09:44:38 CET 2026

Total time taken to generate the page: 0.00656 seconds