|
|
Topic |
Replies |
Views |
Last message |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Set 3D View Alignment |
2 |
6155 |
Fri, 11 October 2019 20:25 By: sbembenek18 ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Conformers and xyz How to get more of them and how to export By: lutek14 on Thu, 10 October 2019 |
1 |
4808 |
Fri, 11 October 2019 19:06 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Aligning molecules to a common substructure |
3 |
7986 |
Fri, 11 October 2019 18:48 By: sbembenek18 ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
New feature request: align structures Align structures By: mvamos on Thu, 19 September 2019 |
2 |
6762 |
Fri, 11 October 2019 18:46 By: sbembenek18 ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Remove duplicate molecules |
2 |
8111 |
Fri, 11 October 2019 18:42 By: sbembenek18 ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
superpose conformers of different molecules in conformer explorer Superposition of conformers of diifferent molecules of the table By: dwwln on Thu, 10 October 2019 |
1 |
4753 |
Thu, 10 October 2019 16:17 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Creat macro file and run, but cant open the created dwar file mainViewCount, mainViewDockInfo, macro file |
5 |
13244 |
Wed, 09 October 2019 23:42 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
question about 'analyse similarity/activity cliffs' function question about 'analyse similarity/activity cliffs' function |
5 |
12435 |
Sun, 06 October 2019 16:10 By: pmallard ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
![icon5.gif](/forum/images/message_icons/icon5.gif) |
New feature request: Merging files with duplicate keys |
0 |
3531 |
Sat, 28 September 2019 01:14 By: Christoph ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
line or bar chart representation in 3D view bar chart |
4 |
11312 |
Wed, 11 September 2019 05:14 By: dongkeke ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
background colour in structure editor |
1 |
7514 |
Fri, 06 September 2019 19:13 By: nbehrnd ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Calculation of mean/median values in box &whisker plots. |
4 |
10646 |
Sun, 25 August 2019 21:52 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Toggle-off absolute configuration while determining Murcko scaffold |
2 |
7095 |
Sun, 25 August 2019 18:56 By: nbehrnd ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Retrieve Data from SQL database How to access MS SQL Server |
3 |
9006 |
Sat, 24 August 2019 00:11 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
export jpg/png file from SDF file with datawarrior from command line Used in Linux |
2 |
9885 |
Tue, 09 July 2019 16:13 By: nbehrnd ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Racemates showing as chiral Display and export issue By: DaveS on Mon, 24 June 2019 |
3 |
9066 |
Tue, 09 July 2019 13:51 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
feature suggestion "pdf2dwar" |
1 |
5036 |
Thu, 27 June 2019 08:23 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
.csv data input including SMILES |
1 |
5948 |
Thu, 27 June 2019 08:12 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
SMILES-based scaffold search |
1 |
5304 |
Thu, 27 June 2019 08:04 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
network file export (cytoscape) SALI plot, network, cytoscape |
1 |
5779 |
Mon, 24 June 2019 17:04 By: nbehrnd ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Opening SDF file with Datawarrior from command line By: abc123 on Tue, 30 October 2018 |
4 |
12533 |
Thu, 20 June 2019 12:46 By: nbehrnd ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Datawarrior Protonates the Oxygen in a Phosphorous Oxygen Double Bond. See Title |
1 |
5441 |
Tue, 28 May 2019 11:02 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Adjust axis range Possibility to manually adjust axis range By: evehom on Fri, 26 April 2019 |
2 |
8091 |
Mon, 29 April 2019 09:07 By: evehom ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
row lists |
1 |
5211 |
Thu, 25 April 2019 21:47 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Hiding data points and corresponding legend Hiding data points and corresponding legend By: evehom on Tue, 16 April 2019 |
1 |
5426 |
Tue, 16 April 2019 16:08 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Label color Possibility to assign same color to all labels By: evehom on Tue, 19 March 2019 |
2 |
6613 |
Fri, 12 April 2019 15:35 By: evehom ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
drug score/evolutionary algorithm |
4 |
11834 |
Tue, 09 April 2019 20:06 By: pc419714@ohio.edu ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Adding data Can you paste data into the middle of the table from excel? |
4 |
11857 |
Fri, 22 March 2019 17:34 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Cluster t-SNE plot Cluster based on t-SNE output |
1 |
5521 |
Wed, 20 March 2019 23:29 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Reaction Searching Reaction functionality demo |
1 |
5288 |
Wed, 20 March 2019 23:17 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Toxicity screen Toxicity screen |
2 |
6914 |
Thu, 14 March 2019 22:10 By: pc419714@ohio.edu ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
DWAR file format file format conversion |
3 |
11669 |
Sat, 09 March 2019 21:33 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
exporting R groups of compounds exporting |
1 |
5240 |
Thu, 07 March 2019 18:08 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Flexophores Flexophores |
1 |
5579 |
Thu, 07 March 2019 17:35 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Category Filters for Structures/Substructures Category Filters for Structures/Substructures |
8 |
18082 |
Thu, 07 March 2019 16:39 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Create new inquery Begin to build your own library |
1 |
5376 |
Tue, 12 February 2019 20:48 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Loss of stereochemical information when importing sdf file |
1 |
6520 |
Tue, 12 February 2019 20:39 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Calculations on multiple values gives one value?! By: Dennis on Fri, 01 February 2019 |
1 |
5283 |
Tue, 12 February 2019 19:00 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Viewing 3-D structures from an imported SDF in DW. Viewing 3-D structures in DW. |
2 |
7068 |
Tue, 12 February 2019 18:49 By: thomas ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |
![The read & unread messages are only tracked for registered users](/forum/theme/myThemeWithHFCSS/images/read.png) |
|
Clear category filters DW v5.0.0 clear category filters functionality missing By: chemtv on Thu, 31 January 2019 |
1 |
5689 |
Tue, 05 February 2019 00:37 By: chemtv ![Go to the last message in this topic](/forum/theme/myThemeWithHFCSS/images/goto.gif) |