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Topic |
Replies |
Views |
Last message |
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Unable to Create New Form
No "New Form View" Option |
1 |
4457 |
Fri, 09 June 2023 17:11
By: thomas  |
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'Search ChEMBL Database' function
Problem with substructure search |
4 |
15064 |
Sat, 27 May 2023 18:01
By: thomas |
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Calculating similarity to one query compound
molecular similarity |
3 |
17220 |
Mon, 22 May 2023 21:55
By: thomas |
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 Add reaction from structure |
3 |
7818 |
Mon, 22 May 2023 21:24
By: thomas |
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showing variable txt/values at "showMessage" macros
Trying to show variable txt/values to follow up WP macro code designs |
4 |
9404 |
Fri, 12 May 2023 13:01
By: juliocoll |
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Search for "any atom" in structure editor |
3 |
9645 |
Sat, 29 April 2023 13:50
By: thomas |
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Opening .CSV file
Error when opening .csv file |
1 |
5141 |
Mon, 27 March 2023 13:58
By: thomas |
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name vs score 2D plot |
10 |
18223 |
Sat, 18 March 2023 17:55
By: thomas |
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HBD/HBA |
5 |
16566 |
Sat, 18 March 2023 17:25
By: thomas |
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histograms 2D view
Requesting addition of an option to generate histograms (i.e. MW vs count) By: P_Fitz on Wed, 23 November 2022 |
2 |
6825 |
Thu, 09 March 2023 01:34
By: P_Fitz |
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Calculate number of dates between 2 dates By: Zioubi on Tue, 21 February 2023 |
2 |
5973 |
Tue, 21 February 2023 10:46
By: Zioubi |
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List Membership Filter |
2 |
6650 |
Thu, 09 February 2023 16:42
By: ELFritzen |
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Docking score and Datawarrior By: Jo W on Fri, 23 December 2022 |
5 |
16784 |
Sat, 04 February 2023 19:22
By: Jo W |
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DW as a KNIME Plugin
KNIME |
4 |
11596 |
Fri, 03 February 2023 15:03
By: wsmts |
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Copy and Paste 3D Pose |
9 |
18729 |
Thu, 02 February 2023 23:26
By: sbembenek18 |
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Copy Images and Statistical value
Bug or Alzheimer By: alienke on Thu, 02 February 2023 |
1 |
4852 |
Thu, 02 February 2023 23:04
By: nbehrnd |
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How to add the "Structure of smile similarity" score to the colume By: Shane on Mon, 30 January 2023 |
2 |
6808 |
Tue, 31 January 2023 03:53
By: Shane |
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maximum number of bins/categories for bar charts By: chemtv on Sat, 07 January 2023 |
3 |
10251 |
Thu, 19 January 2023 22:51
By: nbehrnd |
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ChemAxon plugin
Activation of ChemAxon into DW |
14 |
33008 |
Thu, 01 December 2022 20:06
By: thomas |
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Nasty functions
relation to PAINS? By: sansun on Mon, 21 November 2022 |
1 |
7869 |
Mon, 21 November 2022 10:43
By: thomas |
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Generate tautomers |
2 |
6414 |
Thu, 27 October 2022 15:54
By: Christophe |
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bar graph Murcko Skeleton and count
file size issue perhaps By: khom on Thu, 13 October 2022 |
2 |
6606 |
Wed, 19 October 2022 16:56
By: khom |
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Feature Request
Additional Charting Options |
1 |
4553 |
Fri, 14 October 2022 19:33
By: thomas |
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Jar file from Linux build
replacing the original datawarrior.jar file with the freshly built one By: nats on Tue, 11 October 2022 |
2 |
7676 |
Wed, 12 October 2022 01:37
By: nats |
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update/recalculation of all computed array data By: nbehrnd on Tue, 13 September 2022 |
1 |
5064 |
Tue, 13 September 2022 22:02
By: thomas |
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Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Tue, 09 August 2022 |
22 |
44807 |
Tue, 13 September 2022 21:45
By: thomas |
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Find & Replace or alternative for stereoisomers By: Paul on Mon, 29 August 2022 |
2 |
7116 |
Wed, 31 August 2022 18:36
By: Paul |
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Assign cluster name based on cluster size By: mcmc on Thu, 07 April 2022 |
4 |
18172 |
Fri, 05 August 2022 07:46
By: DrCJM |
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Updating columns |
6 |
14363 |
Tue, 19 July 2022 05:43
By: sansun |
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Medchem rules
one click option By: sansun on Sat, 16 July 2022 |
0 |
3544 |
Sat, 16 July 2022 14:17
By: sansun |
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Row wise chemical reaction
Wish to combine Carboxylic acids in one column with AA in another, not combinatorially By: P_Fitz on Fri, 06 December 2019 |
12 |
30758 |
Thu, 14 July 2022 10:27
By: thomas |
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Saving 2D-structure with labels |
10 |
29633 |
Sat, 02 July 2022 04:36
By: vijaymasand |
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macro buildEvolutionaryLibrary from a mac terminal
macro buildEvolutionaryLibrary By: Bruno on Sat, 04 June 2022 |
5 |
12568 |
Sat, 25 June 2022 12:55
By: thomas |
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Export Superimposed structures |
1 |
5229 |
Sun, 15 May 2022 17:08
By: thomas |
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defining molecule clusters after similarity analysis By: Xenia on Mon, 07 March 2022 |
2 |
7598 |
Fri, 29 April 2022 18:09
By: Xenia |
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search for conformers, empty column «minimization error» |
1 |
5476 |
Wed, 06 April 2022 11:56
By: thomas |
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Comparing Structure Files
proble to use the "Find similar compound in other file" tool |
9 |
22149 |
Tue, 05 April 2022 16:47
By: thomas |
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Video tutorial on using Datawarrior to undertake QSAR predictions
QSAR predictions in Datawarrior By: Jo W on Thu, 17 March 2022 |
3 |
11569 |
Mon, 04 April 2022 09:00
By: sansun |
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Adjust font and size SALIplot |
1 |
5714 |
Sat, 02 April 2022 17:38
By: thomas |
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what parameters shall be used to create t-SNE or PCA visualization in Data Warrior
parameters for t-SNE or PCA visualization |
1 |
8629 |
Sat, 02 April 2022 17:28
By: thomas |
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