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Re: Evolutionary algorithm [message #466 is a reply to message #465]

Tue, 12 February 2019 18:40

thomas
Messages: 731
Registered: June 2014

Senior Member

When you define the first generation of molecules, then you may double click any of them to open the structure in the structure editor. Use the lasso tool and select the scaffold, which should not be touched. When selected, all scaffold atoms and bonds should be drawn in red. Then close the editor. In the list of first generation molecules, the unmutable scaffolds should still be drawn in red. When starting the evolution, these atoms and bonds won't be changed in any way. I just checked that this is still working. See example image...

index.php?t=getfile&id=49&private=0

Attachment: elib.png
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[Updated on: Tue, 12 February 2019 18:41]

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[Message index]

		Evolutionary algorithm By: pc419714@ohio.edu on Tue, 12 February 2019 17:20
		Re: Evolutionary algorithm By: thomas on Tue, 12 February 2019 18:40
		Re: Evolutionary algorithm By: pc419714@ohio.edu on Wed, 13 February 2019 23:05
		Re: Evolutionary algorithm By: pc419714@ohio.edu on Thu, 14 February 2019 04:28
		Re: Evolutionary algorithm By: thomas on Thu, 07 March 2019 16:25
		Re: Evolutionary algorithm By: pc419714@ohio.edu on Thu, 14 March 2019 22:08
		Re: Evolutionary algorithm By: sansun on Sun, 10 May 2020 06:24
		Re: Evolutionary algorithm By: thomas on Sun, 10 May 2020 15:32
		Re: Evolutionary algorithm By: sansun on Wed, 13 May 2020 15:08

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