Updating columns [message #1638] |
Thu, 16 June 2022 05:53 ![Go to next message Go to next message](/forum/theme/myThemeWithHFCSS/images/down.png) |
ChristerW
Messages: 2 Registered: June 2022
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Junior Member |
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Hi!
Can one update internally calculated columns in DataWarrior and if so how does one do that? For example if you have a column with calculated Log P and add some new compounds, how do you update the LogP column for the new new compounds.
ChristerW
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Re: Updating columns [message #1646 is a reply to message #1638] |
Sat, 25 June 2022 12:47 ![Go to previous message Go to previous message](/forum/theme/myThemeWithHFCSS/images/up.png) ![Go to next message Go to next message](/forum/theme/myThemeWithHFCSS/images/down.png) |
thomas
Messages: 693 Registered: June 2014
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Senior Member |
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If a column was calculated with 'Add Calculated Values...', then the formula is stored in the file. In this case the column's values can be re-calculated. Calculated chemical properties are different: The procedure here would involve deleting the old column and freshly generating a new one. Of course, one can do that as a macro. Especially, if multiple columns shall be recalculated, a macro would be a convenient ways to do that: start macro recording, delete property columns manually, calculated the same columns freshly, stop macro recording, export the macro into a file. You may then move the macro file into the datawarrior/macro folder, which would create an entry in the 'Macro' menu, which allows to run the macro from any DataWarrior window any time.
[Updated on: Sat, 25 June 2022 12:50] Report message to a moderator
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