openmolecules.org Forum: Functionality

Home » DataWarrior » Functionality

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

Topic	Replies	Views	Last message
Remove duplicate molecules By: sbembenek18 on Sat, 05 October 2019	2	11512	Fri, 11 October 2019 18:42 By: sbembenek18
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	6789	Thu, 10 October 2019 16:17 By: thomas
Creat macro file and run, but cant open the created dwar file mainViewCount, mainViewDockInfo, macro file By: dongkeke on Wed, 18 September 2019	5	18947	Wed, 09 October 2019 23:42 By: thomas
question about 'analyse similarity/activity cliffs' function question about 'analyse similarity/activity cliffs' function By: alc@sanger.ac.uk on Thu, 04 July 2019	5	17463	Sun, 06 October 2019 16:10 By: pmallard
New feature request: Merging files with duplicate keys By: Christoph on Sat, 28 September 2019	0	4878	Sat, 28 September 2019 01:14 By: Christoph
line or bar chart representation in 3D view bar chart By: dongkeke on Fri, 23 August 2019	4	16258	Wed, 11 September 2019 05:14 By: dongkeke
background colour in structure editor By: alc@sanger.ac.uk on Thu, 05 September 2019	1	11157	Fri, 06 September 2019 19:13 By: nbehrnd
Calculation of mean/median values in box &whisker plots. By: timritchie on Wed, 24 July 2019	4	14952	Sun, 25 August 2019 21:52 By: thomas
Toggle-off absolute configuration while determining Murcko scaffold By: nbehrnd on Wed, 21 August 2019	2	10234	Sun, 25 August 2019 18:56 By: nbehrnd
Retrieve Data from SQL database How to access MS SQL Server By: alienke on Mon, 15 July 2019	3	12598	Sat, 24 August 2019 00:11 By: thomas
export jpg/png file from SDF file with datawarrior from command line Used in Linux By: dongkeke on Tue, 09 July 2019	2	14378	Tue, 09 July 2019 16:13 By: nbehrnd
Racemates showing as chiral Display and export issue By: DaveS on Mon, 24 June 2019	3	12655	Tue, 09 July 2019 13:51 By: thomas
feature suggestion "pdf2dwar" By: nbehrnd on Thu, 06 June 2019	1	6976	Thu, 27 June 2019 08:23 By: thomas
.csv data input including SMILES By: nbehrnd on Thu, 13 June 2019	1	8044	Thu, 27 June 2019 08:12 By: thomas
SMILES-based scaffold search By: nbehrnd on Tue, 25 June 2019	1	7508	Thu, 27 June 2019 08:04 By: thomas
network file export (cytoscape) SALI plot, network, cytoscape By: unocondos on Fri, 14 June 2019	1	8135	Mon, 24 June 2019 17:04 By: nbehrnd
Opening SDF file with Datawarrior from command line By: abc123 on Tue, 30 October 2018	4	17282	Thu, 20 June 2019 12:46 By: nbehrnd
Datawarrior Protonates the Oxygen in a Phosphorous Oxygen Double Bond. See Title By: SMolnar on Wed, 22 May 2019	1	7395	Tue, 28 May 2019 11:02 By: thomas
Adjust axis range Possibility to manually adjust axis range By: evehom on Fri, 26 April 2019	2	11104	Mon, 29 April 2019 09:07 By: evehom
row lists By: pc419714@ohio.edu on Thu, 25 April 2019	1	7428	Thu, 25 April 2019 21:47 By: thomas
Hiding data points and corresponding legend Hiding data points and corresponding legend By: evehom on Tue, 16 April 2019	1	7496	Tue, 16 April 2019 16:08 By: thomas
Label color Possibility to assign same color to all labels By: evehom on Tue, 19 March 2019	2	9102	Fri, 12 April 2019 15:35 By: evehom
drug score/evolutionary algorithm By: pc419714@ohio.edu on Thu, 04 April 2019	4	16312	Tue, 09 April 2019 20:06 By: pc419714@ohio.edu
Adding data Can you paste data into the middle of the table from excel? By: kfreeman on Wed, 30 January 2019	4	16428	Fri, 22 March 2019 17:34 By: thomas
Cluster t-SNE plot Cluster based on t-SNE output By: amorrison on Sat, 16 March 2019	1	7636	Wed, 20 March 2019 23:29 By: thomas
Reaction Searching Reaction functionality demo By: amorrison on Sat, 16 March 2019	1	7159	Wed, 20 March 2019 23:17 By: thomas
Toxicity screen Toxicity screen By: pc419714@ohio.edu on Sun, 17 February 2019	2	9595	Thu, 14 March 2019 22:10 By: pc419714@ohio.edu
DWAR file format file format conversion By: catalyst on Thu, 07 March 2019	3	15399	Sat, 09 March 2019 21:33 By: thomas
exporting R groups of compounds exporting By: jkulpiii on Wed, 06 March 2019	1	7089	Thu, 07 March 2019 18:08 By: thomas
Flexophores Flexophores By: pc419714@ohio.edu on Sun, 17 February 2019	1	7475	Thu, 07 March 2019 17:35 By: thomas
Category Filters for Structures/Substructures Category Filters for Structures/Substructures By: tschrader on Mon, 14 January 2019	8	28363	Thu, 07 March 2019 16:39 By: thomas
Create new inquery Begin to build your own library By: dvitsupa on Fri, 08 February 2019	1	7283	Tue, 12 February 2019 20:48 By: thomas
Loss of stereochemical information when importing sdf file By: Mike Parker on Fri, 08 February 2019	1	8963	Tue, 12 February 2019 20:39 By: thomas
Calculations on multiple values gives one value?! By: Dennis on Fri, 01 February 2019	1	7108	Tue, 12 February 2019 19:00 By: thomas
Viewing 3-D structures from an imported SDF in DW. Viewing 3-D structures in DW. By: timritchie on Sun, 27 January 2019	2	9653	Tue, 12 February 2019 18:49 By: thomas
Clear category filters DW v5.0.0 clear category filters functionality missing By: chemtv on Thu, 31 January 2019	1	7546	Tue, 05 February 2019 00:37 By: chemtv
Why is clustering limited up to 10000 molecules? By: Nastasia on Wed, 22 July 2015	10	39100	Fri, 11 January 2019 07:21 By: E3ubiquitinligase
X = Y line in plot By: abc123 on Thu, 13 December 2018	1	8139	Sat, 15 December 2018 11:02 By: thomas
Case sensitivity in merge function toggle case sensitivity in merge function By: rapasam on Thu, 15 November 2018	1	7660	Sat, 17 November 2018 18:03 By: thomas
Hide legends By: alfred on Mon, 12 November 2018	0	5138	Mon, 12 November 2018 17:43 By: alfred