openmolecules.org Forum: Bug Reports » Bug in how stereochemistry is reported

Home » DataWarrior » Bug Reports » Bug in how stereochemistry is reported (Stereochemistry)

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

Re: Bug in how stereochemistry is reported [message #1252 is a reply to message #1251]

Fri, 12 March 2021 15:34

thomas
Messages: 736
Registered: June 2014

Senior Member

I just updated the dev version such that when loading an sd-file, then it interprets the content:
If all entries are V2000 and if zero entries have the chiral flag set and if some entries have stereo centers,
then the user is asked, whether entries with stereo centers shall be interpreted as pure enantiomers.
The macro task 'Open File' also got an option to assume the chiral flag to be set for such cases.

Report message to a moderator

[Message index]

		Bug in how stereochemistry is reported By: richards99 on Fri, 08 January 2021 11:52
		Re: Bug in how stereochemistry is reported By: thomas on Wed, 13 January 2021 17:51
		Re: Bug in how stereochemistry is reported By: richards99 on Thu, 04 March 2021 09:44
		Re: Bug in how stereochemistry is reported By: richards99 on Thu, 04 March 2021 09:50
		Re: Bug in how stereochemistry is reported By: thomas on Tue, 09 March 2021 16:01
		Re: Bug in how stereochemistry is reported By: richards99 on Thu, 11 March 2021 09:26
		Re: Bug in how stereochemistry is reported By: richards99 on Thu, 11 March 2021 13:19
		Re: Bug in how stereochemistry is reported By: thomas on Fri, 12 March 2021 15:34
		Re: Bug in how stereochemistry is reported By: richards99 on Mon, 15 March 2021 09:21
		Re: Bug in how stereochemistry is reported By: tryckmans@ridgelinediscov on Mon, 24 July 2023 14:01
		Re: Bug in how stereochemistry is reported By: thomas on Thu, 27 July 2023 19:45

Previous Topic:	CDD vault plugin does not work
Next Topic:	Copy-paste for structures throwing error in the master branch

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Fri Oct 31 16:07:52 CET 2025

Total time taken to generate the page: 0.96999 seconds