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 #991 is a reply to message #988]

Thu, 09 July 2020 10:10

nbehrnd
Messages: 233
Registered: June 2019

Senior Member

Hello Paul,

starting with the liquid_crystal.dwar file attached below, and using the parameters
shown in the screen photo below

index.php?t=getfile&id=241&private=0

the newly written conformers_test.dwar contains multiple models. Not 16 which was
set as the maximum number, but at least four. May you share a minimal example,
including the parameters you use, leading to the empty .dwar file?

Norwid

Attachment: liquid_crystal.dwar
(Size: 1.36KB, Downloaded 415 times)
Attachment: conformers_test.png
(Size: 40.54KB, Downloaded 920 times)
Attachment: conformers_test.dwar
(Size: 2.47KB, Downloaded 455 times)

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: Fri Apr 04 22:59:32 CEST 2025

Total time taken to generate the page: 0.04154 seconds