openmolecules.org Forum: Bug Reports » Generate conformers

Home » DataWarrior » Bug Reports » Generate conformers - write to file does nothing

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

Re: Generate conformers - write to file does nothing [message #988 is a reply to message #987]

Thu, 09 July 2020 02:46

Paul
Messages: 16
Registered: May 2019
Location: United States

Junior Member

Thanks - I have been able to use the various force fields with success, but only when generating a single conformer as new columns in the DWAR document.

Regardless of the force field, or choosing not to minimize, the output from generate conformers → write to file is a blank DWAR file.

Paul

Report message to a moderator

[Message index]

		Generate conformers - write to file does nothing By: Paul on Wed, 08 July 2020 21:01
		Re: Generate conformers - write to file does nothing By: nbehrnd on Thu, 09 July 2020 00:58
		Re: Generate conformers - write to file does nothing By: Paul on Thu, 09 July 2020 02:46
		Re: Generate conformers - write to file does nothing By: nbehrnd on Thu, 09 July 2020 10:10
		Re: Generate conformers - write to file does nothing By: Paul on Thu, 09 July 2020 18:23
		Re: Generate conformers - write to file does nothing By: thomas on Fri, 10 July 2020 13:22

Previous Topic:	Uncaught Exception:/ by zero error when using structure view.
Next Topic:	Dropbox dead links

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sat Jul 05 22:29:12 CEST 2025

Total time taken to generate the page: 0.05873 seconds