openmolecules.org Forum: Bug Reports » conformer generation sometimes skips isomer generation

Home » DataWarrior » Bug Reports » conformer generation sometimes skips isomer generation

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

Re: conformer generation sometimes skips isomer generation [message #1919 is a reply to message #1918]

Thu, 08 June 2023 17:15

thomas
Messages: 731
Registered: June 2014

Senior Member

Update: I just released a dev update that fixes the lost stereo configuration issue in the Mutator, which caused random molecules and evolutionary library molecules to have unknown stereo configurations.

Report message to a moderator

[Message index]

		conformer generation sometimes skips isomer generation By: nbehrnd on Wed, 07 June 2023 16:15
		Re: conformer generation sometimes skips isomer generation By: thomas on Thu, 08 June 2023 14:13
		Re: conformer generation sometimes skips isomer generation By: thomas on Thu, 08 June 2023 17:15
		Re: conformer generation sometimes skips isomer generation By: nbehrnd on Fri, 09 June 2023 12:14

Previous Topic:	Unable to diaplay zwitterion structure correctly in both + and - sperately
Next Topic:	Pentavalent carbonyl issue (urea formation?)

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Tue Jun 17 21:57:57 CEST 2025

Total time taken to generate the page: 0.05663 seconds