openmolecules.org Forum: Functionality » Macro for evolutionary library (EL) in Datwarrior (DW)

Home » DataWarrior » Functionality » Macro for evolutionary library (EL) in Datwarrior (DW)

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

Re: Macro for evolutionary library (EL) in Datwarrior (DW) [message #1710 is a reply to message #1707]

Sat, 27 August 2022 14:12

nbehrnd
Messages: 234
Registered: June 2019

Senior Member

Dear Thomas,

with the current update of DW (packaged 2022-08-27 12:08 for Linux/MacOS) the «self-reference» is unable to start. As a test, I let DW generate 5 random molecules in first place and saved the result as .dwar. Subsequently, and still with the same file, the aim to pick these structures as start for an EL fails:

/forum/index.php?t=getfile&id=586&private=0

/forum/index.php?t=getfile&id=586&private=0

However one may argue to populate the window «1st generation molecules» right away would be at least as valuable than the pick from an external/other .sdf or .dwar file (which are accepted input).

To mark every in the structure column by individual click (in my installation, the cell's background then darkens) and attempt again to use these entries of the same file just open and running via «structure column» equally fails.

Norwid

Attachment: Random_Molecules.dwar
(Size: 1.34KB, Downloaded 512 times)
Attachment: 2022-08-27_EL_attempt -- dw.png
(Size: 90.33KB, Downloaded 1133 times)

Report message to a moderator

[Message index]

		Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Tue, 09 August 2022 14:42
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: nbehrnd on Tue, 09 August 2022 22:06
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Sun, 21 August 2022 19:31
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: thomas on Mon, 22 August 2022 15:11
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Mon, 22 August 2022 17:57
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: nbehrnd on Tue, 23 August 2022 21:58
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Tue, 23 August 2022 23:28
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: thomas on Fri, 26 August 2022 15:25
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: thomas on Fri, 26 August 2022 15:40
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: nbehrnd on Sat, 27 August 2022 14:12
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: thomas on Sat, 27 August 2022 15:06
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: nbehrnd on Sat, 27 August 2022 17:20
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Mon, 05 September 2022 01:39
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: nbehrnd on Tue, 06 September 2022 08:05
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Thu, 08 September 2022 16:17
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Thu, 08 September 2022 16:22
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: nbehrnd on Thu, 08 September 2022 20:15
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: thomas on Sun, 11 September 2022 15:33
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Mon, 12 September 2022 00:21
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: thomas on Tue, 13 September 2022 21:45
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Tue, 30 August 2022 17:56
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: nbehrnd on Tue, 30 August 2022 19:56
		Re: Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Sun, 04 September 2022 19:57

Previous Topic:	Find & Replace or alternative for stereoisomers
Next Topic:	update/recalculation of all computed array data

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Oct 08 19:01:47 CEST 2025

Total time taken to generate the page: 0.71836 seconds