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Re: Generate conformers - write to file does nothing [message #996 is a reply to message #984]

Fri, 10 July 2020 13:22

thomas
Messages: 715
Registered: June 2014

Senior Member

I cannot reproduce this. If I generate 10 random molecules with otherwise default settings, and if I then generate conformers (Max conformer count: 2, otherwise default), I get two conformers for most molecules:

index.php?t=getfile&id=244&private=0

I tried with V5.2.1 as well as with the most recent dev version. Writing 16 conformers per structure into a file also worked. Maybe it somehow is related to your input structures? Could you share a problematic structure?

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[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

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