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MORTAR

Authors: Baensch, Felix; Schaub, Jonas; Sevindik, Betuel; Behr, Samuel; Zander, Julian; Steinbeck, Christoph; Zielesny, Achim;
Abstract

Change notes Added drag and drop feature for file import (issue #33) Fixed issue #72 that parent structures overview of fragments resulting from a pipeline fragmentation showed only one parent structure Added ".tsv" as accepted import file extension (issue #81) Fixed issue #86 that "data will be lost" dialogue appeared two times Updated JavaFx Gradle plugin (0.0.14 -> 0.1.0) (issue #23) Fixed issue #88 regarding pipeline settings dialogue Changed arrangement of fragments tab (issue #84) Fixed unnecessary scroll bars in molecules tab Added note about forwarding MORTAR from a remote server using X (#85) What's Changed (according to GitHub pull requests) Gradle build in GitHub actions on push to master; spotless code formatting plugin; DOI badge in readme by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/9 Replaced copied ScaffoldGenerator source files with cdk-scaffold artifact by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/14 Replaced SRU source files with maven artifact by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/17 EFGF artifact integration and dependency updates by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/25 Update readme by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/34 Update README.md by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/37 Readme update by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/39 Updated EFGF to v1.3 and make adjustments in fragmenter class by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/35 Update of ErtlFunctionalGroupsFinder v1.2 to v1.3 by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/42 Changed licence to MIT in source code file headers and in licence files by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/41 Licence change to MIT by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/43 Update LICENSE by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/44 Fixed SD files not being imported completely by @SamuelBehr in https://github.com/FelixBaensch/MORTAR/pull/12 Smiles import minor adaptions by @SamuelBehr in https://github.com/FelixBaensch/MORTAR/pull/13 Smiles importer test for improvements by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/31 Collection util rework by @FelixBaensch in https://github.com/FelixBaensch/MORTAR/pull/53 Fixed some SonarCloud issues from the complete code analysis by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/49 Fixed copy and paste error in SettingsContainer by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/60 Separator character is now replaced with _ in molecule names when items tab is exported to CSV by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/64 Issue 54 button sizes by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/65 Export fixes by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/62 Issue 36 query bonds import by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/63 Issue 59 pipeline settings view by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/69 Marked keepLastFragmentSetting for pipelines as deprecated and removed… by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/70 Preparations for v1.2, adjusted version numbers, updated gradle wrapper, … by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/73 Check for file extension on export; by @FelixBaensch in https://github.com/FelixBaensch/MORTAR/pull/76 Add drag'n'drop feature by @FelixBaensch in https://github.com/FelixBaensch/MORTAR/pull/74 Fix for issue 72, only one parent molecule for each fragment after pipeline by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/78 Adding .tsv file extension to accepted import file types by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/89 Making shell code in readme directly copyable by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/92 Update javafxplugin according to its readme; by @FelixBaensch in https://github.com/FelixBaensch/MORTAR/pull/95 Issue 86 by @FelixBaensch in https://github.com/FelixBaensch/MORTAR/pull/91 Update copyright year to 2024 in about view by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/96 Fix for issue 88 that fragmenter settings in pipeline reflect back to fragmentation settings in main view by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/97 Added paragraph about X11 forwarding to the tutorial by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/101 Issue 84 column swap by @JonasSchaub in https://github.com/FelixBaensch/MORTAR/pull/99 Full Changelog: https://github.com/FelixBaensch/MORTAR/compare/v1.1.1.0...v1.2.0.0-beta.1

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popularity
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