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Conformers and xyz How to get more of them and how to export By: lutek14 on Thu, 10 October 2019 |
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4510 |
Fri, 11 October 2019 19:06 By: thomas |
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Aligning molecules to a common substructure |
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7573 |
Fri, 11 October 2019 18:48 By: sbembenek18 |
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New feature request: align structures Align structures By: mvamos on Thu, 19 September 2019 |
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6396 |
Fri, 11 October 2019 18:46 By: sbembenek18 |
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Remove duplicate molecules |
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7782 |
Fri, 11 October 2019 18:42 By: sbembenek18 |
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superpose conformers of different molecules in conformer explorer Superposition of conformers of diifferent molecules of the table By: dwwln on Thu, 10 October 2019 |
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4513 |
Thu, 10 October 2019 16:17 By: thomas |
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Creat macro file and run, but cant open the created dwar file mainViewCount, mainViewDockInfo, macro file |
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12429 |
Wed, 09 October 2019 23:42 By: thomas |
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question about 'analyse similarity/activity cliffs' function question about 'analyse similarity/activity cliffs' function |
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11724 |
Sun, 06 October 2019 16:10 By: pmallard |
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New feature request: Merging files with duplicate keys |
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3333 |
Sat, 28 September 2019 01:14 By: Christoph |
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line or bar chart representation in 3D view bar chart |
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10841 |
Wed, 11 September 2019 05:14 By: dongkeke |
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background colour in structure editor |
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7118 |
Fri, 06 September 2019 19:13 By: nbehrnd |
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Calculation of mean/median values in box &whisker plots. |
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10363 |
Sun, 25 August 2019 21:52 By: thomas |
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Toggle-off absolute configuration while determining Murcko scaffold |
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6779 |
Sun, 25 August 2019 18:56 By: nbehrnd |
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Retrieve Data from SQL database How to access MS SQL Server |
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8503 |
Sat, 24 August 2019 00:11 By: thomas |
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export jpg/png file from SDF file with datawarrior from command line Used in Linux |
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9523 |
Tue, 09 July 2019 16:13 By: nbehrnd |
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Racemates showing as chiral Display and export issue By: DaveS on Mon, 24 June 2019 |
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8609 |
Tue, 09 July 2019 13:51 By: thomas |
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feature suggestion "pdf2dwar" |
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4905 |
Thu, 27 June 2019 08:23 By: thomas |
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.csv data input including SMILES |
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5689 |
Thu, 27 June 2019 08:12 By: thomas |
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SMILES-based scaffold search |
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5018 |
Thu, 27 June 2019 08:04 By: thomas |
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network file export (cytoscape) SALI plot, network, cytoscape |
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5578 |
Mon, 24 June 2019 17:04 By: nbehrnd |
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Opening SDF file with Datawarrior from command line By: abc123 on Tue, 30 October 2018 |
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11868 |
Thu, 20 June 2019 12:46 By: nbehrnd |
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Datawarrior Protonates the Oxygen in a Phosphorous Oxygen Double Bond. See Title |
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5316 |
Tue, 28 May 2019 11:02 By: thomas |
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Adjust axis range Possibility to manually adjust axis range By: evehom on Fri, 26 April 2019 |
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7701 |
Mon, 29 April 2019 09:07 By: evehom |
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row lists |
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4955 |
Thu, 25 April 2019 21:47 By: thomas |
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Hiding data points and corresponding legend Hiding data points and corresponding legend By: evehom on Tue, 16 April 2019 |
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5167 |
Tue, 16 April 2019 16:08 By: thomas |
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Label color Possibility to assign same color to all labels By: evehom on Tue, 19 March 2019 |
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6432 |
Fri, 12 April 2019 15:35 By: evehom |
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drug score/evolutionary algorithm |
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11291 |
Tue, 09 April 2019 20:06 By: pc419714@ohio.edu |
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Adding data Can you paste data into the middle of the table from excel? |
4 |
11477 |
Fri, 22 March 2019 17:34 By: thomas |
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Cluster t-SNE plot Cluster based on t-SNE output |
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5265 |
Wed, 20 March 2019 23:29 By: thomas |
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Reaction Searching Reaction functionality demo |
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4878 |
Wed, 20 March 2019 23:17 By: thomas |
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Toxicity screen Toxicity screen |
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6556 |
Thu, 14 March 2019 22:10 By: pc419714@ohio.edu |
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DWAR file format file format conversion |
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11407 |
Sat, 09 March 2019 21:33 By: thomas |
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exporting R groups of compounds exporting |
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5014 |
Thu, 07 March 2019 18:08 By: thomas |
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Flexophores Flexophores |
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5147 |
Thu, 07 March 2019 17:35 By: thomas |
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Category Filters for Structures/Substructures Category Filters for Structures/Substructures |
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17474 |
Thu, 07 March 2019 16:39 By: thomas |
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Create new inquery Begin to build your own library |
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5116 |
Tue, 12 February 2019 20:48 By: thomas |
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Loss of stereochemical information when importing sdf file |
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6034 |
Tue, 12 February 2019 20:39 By: thomas |
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Calculations on multiple values gives one value?! By: Dennis on Fri, 01 February 2019 |
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5100 |
Tue, 12 February 2019 19:00 By: thomas |
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Viewing 3-D structures from an imported SDF in DW. Viewing 3-D structures in DW. |
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6653 |
Tue, 12 February 2019 18:49 By: thomas |
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Clear category filters DW v5.0.0 clear category filters functionality missing By: chemtv on Thu, 31 January 2019 |
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5428 |
Tue, 05 February 2019 00:37 By: chemtv |
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Why is clustering limited up to 10000 molecules? |
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30018 |
Fri, 11 January 2019 07:21 By: E3ubiquitinligase |