| |
|
Topic |
Replies |
Views |
Last message |
 |
|
Comparing Structures from two Datawarrior Files |
4 |
2968 |
Mon, 17 July 2023 17:06
By: ELFritzen  |
|
|
 Deleting 3D Confomers By: umaed on Fri, 14 July 2023 |
2 |
1931 |
Fri, 14 July 2023 13:01
By: umaed |
|
|
Chemaxon pKa plugin |
2 |
2629 |
Wed, 12 July 2023 15:29
By: thomas |
|
 |
handling ultra large space
DB sizes and scaling By: jrs11 on Thu, 06 July 2023 |
0 |
1076 |
Thu, 06 July 2023 00:07
By: jrs11 |
|
|
Filter out nasty functions
to design a macro to filter all nasty functions their names should be included |
20 |
13189 |
Thu, 15 June 2023 16:40
By: juliocoll |
|
|
Color a Row |
1 |
1727 |
Wed, 14 June 2023 20:53
By: thomas |
|
|
is it possible to find text By: Ashley on Wed, 14 June 2023 |
1 |
6946 |
Wed, 14 June 2023 20:50
By: thomas |
|
|
Row Wise Sum |
2 |
2190 |
Wed, 14 June 2023 08:44
By: amorrison |
|
|
Unable to Create New Form
No "New Form View" Option |
1 |
1768 |
Fri, 09 June 2023 17:11
By: thomas |
|
|
'Search ChEMBL Database' function
Problem with substructure search |
4 |
8960 |
Sat, 27 May 2023 18:01
By: thomas |
|
|
Calculating similarity to one query compound
molecular similarity |
3 |
11786 |
Mon, 22 May 2023 21:55
By: thomas |
|
 |
Add reaction from structure |
3 |
2785 |
Mon, 22 May 2023 21:24
By: thomas |
|
|
showing variable txt/values at "showMessage" macros
Trying to show variable txt/values to follow up WP macro code designs |
4 |
3532 |
Fri, 12 May 2023 13:01
By: juliocoll |
|
|
Search for "any atom" in structure editor |
3 |
3965 |
Sat, 29 April 2023 13:50
By: thomas |
|
|
Opening .CSV file
Error when opening .csv file |
1 |
2058 |
Mon, 27 March 2023 13:58
By: thomas |
|
 |
name vs score 2D plot |
10 |
6557 |
Sat, 18 March 2023 17:55
By: thomas |
|
|
HBD/HBA |
5 |
6197 |
Sat, 18 March 2023 17:25
By: thomas |
|
|
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 |
2520 |
Thu, 09 March 2023 01:34
By: P_Fitz |
|
|
Calculate number of dates between 2 dates By: Zioubi on Tue, 21 February 2023 |
2 |
1953 |
Tue, 21 February 2023 10:46
By: Zioubi |
|
|
List Membership Filter |
2 |
2563 |
Thu, 09 February 2023 16:42
By: ELFritzen |
|
|
Docking score and Datawarrior By: Jo W on Fri, 23 December 2022 |
5 |
5202 |
Sat, 04 February 2023 19:22
By: Jo W |
|
|
DW as a KNIME Plugin
KNIME |
4 |
5283 |
Fri, 03 February 2023 15:03
By: wsmts |
|
|
Copy and Paste 3D Pose |
9 |
6940 |
Thu, 02 February 2023 23:26
By: sbembenek18 |
|
|
Copy Images and Statistical value
Bug or Alzheimer By: alienke on Thu, 02 February 2023 |
1 |
1675 |
Thu, 02 February 2023 23:04
By: nbehrnd |
|
|
How to add the "Structure of smile similarity" score to the colume By: Shane on Mon, 30 January 2023 |
2 |
2303 |
Tue, 31 January 2023 03:53
By: Shane |
|
|
maximum number of bins/categories for bar charts By: chemtv on Sat, 07 January 2023 |
3 |
3592 |
Thu, 19 January 2023 22:51
By: nbehrnd |
|
|
ChemAxon plugin
Activation of ChemAxon into DW |
14 |
15590 |
Thu, 01 December 2022 20:06
By: thomas |
|
|
Nasty functions
relation to PAINS? By: sansun on Mon, 21 November 2022 |
1 |
2338 |
Mon, 21 November 2022 10:43
By: thomas |
|
|
Generate tautomers |
2 |
2535 |
Thu, 27 October 2022 15:54
By: Christophe |
|
|
bar graph Murcko Skeleton and count
file size issue perhaps By: khom on Thu, 13 October 2022 |
2 |
2662 |
Wed, 19 October 2022 16:56
By: khom |
|
|
Feature Request
Additional Charting Options |
1 |
1712 |
Fri, 14 October 2022 19:33
By: thomas |
|
|
Jar file from Linux build
replacing the original datawarrior.jar file with the freshly built one By: nats on Tue, 11 October 2022 |
2 |
3226 |
Wed, 12 October 2022 01:37
By: nats |
|
|
update/recalculation of all computed array data By: nbehrnd on Tue, 13 September 2022 |
1 |
2094 |
Tue, 13 September 2022 22:02
By: thomas |
|
|
Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Tue, 09 August 2022 |
22 |
16961 |
Tue, 13 September 2022 21:45
By: thomas |
|
|
Find & Replace or alternative for stereoisomers By: Paul on Mon, 29 August 2022 |
2 |
2617 |
Wed, 31 August 2022 18:36
By: Paul |
|
|
Assign cluster name based on cluster size By: mcmc on Thu, 07 April 2022 |
4 |
5074 |
Fri, 05 August 2022 07:46
By: DrCJM |
|
|
Updating columns |
6 |
6250 |
Tue, 19 July 2022 05:43
By: sansun |
|
|
Medchem rules
one click option By: sansun on Sat, 16 July 2022 |
0 |
1560 |
Sat, 16 July 2022 14:17
By: sansun |
|
|
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 |
16202 |
Thu, 14 July 2022 10:27
By: thomas |
|
|
Saving 2D-structure with labels |
10 |
11223 |
Sat, 02 July 2022 04:36
By: vijaymasand |
]
Search
Help
Members
Register
Login
Home