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FelixBaensch
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MORTAR
MOlecule fRagmenTAtion fRamework
MIT License
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Make gradle build badge point to main branch
#124
JonasSchaub
closed
6 days ago
1
Native Mac app menu bar
#123
Kohulan
opened
1 week ago
0
Create Mac Native app release
#122
Kohulan
opened
1 week ago
2
Use ProcessBuilder and full path to explorer command instead of Runtime and short command from PATH in FileUtil.openFilePathInExplorer()
#120
JonasSchaub
opened
1 month ago
0
MORTAR v1.2.0.0
#119
JonasSchaub
closed
1 month ago
1
Settings menu design: make it visually more clear which settings is in which line, to see more easily which setting belongs to which control
#118
JonasSchaub
opened
1 month ago
3
Introduce timeout setting for long processes, e.g. the scaffold generator processing
#117
JonasSchaub
opened
1 month ago
0
Clustering: ART2a variant that should find a specified number of clusters, i.e. the vigilance param is not given but must be determined.
#116
JonasSchaub
opened
1 month ago
0
Clustering: train test split functionality
#115
JonasSchaub
opened
1 month ago
0
Fingerprinting functionality: make user able to select and deselect fragments for inclusion in fingerprint
#114
JonasSchaub
opened
1 month ago
0
Functionality to combine fragment sets based on items tab
#113
JonasSchaub
opened
1 month ago
0
MORTAR v1.2-beta.2 preparations
#111
JonasSchaub
closed
2 months ago
1
Removing "if defined JAVA_HOME" from the batch files to fix the issue…
#110
JonasSchaub
closed
2 months ago
1
Issue 100 scroll bar
#109
JonasSchaub
closed
2 months ago
3
Fix deployment of version 1.2-beta.1
#108
JonasSchaub
closed
2 months ago
0
Fragments tab layout on Linux
#107
JonasSchaub
opened
2 months ago
0
Implement fragment saturation setting option to fill valences opened by fragmentation with pseudo (R) atoms to mark "attachment points"
#105
JonasSchaub
opened
2 months ago
0
Added paragraph about X11 forwarding to the tutorial
#101
JonasSchaub
closed
2 months ago
1
Unnecessary vertical scroll bar in items tab
#100
JonasSchaub
closed
2 months ago
9
Issue 84 column swap
#99
JonasSchaub
closed
2 months ago
13
Fix for issue 88 that fragmenter settings in pipeline reflect back to fragmentation settings in main view
#97
JonasSchaub
closed
2 months ago
6
Update copyright year to 2024 in about view
#96
JonasSchaub
closed
2 months ago
1
Update javafxplugin according to its readme;
#95
FelixBaensch
closed
2 months ago
1
Unify aglycones
#94
JonasSchaub
opened
2 months ago
0
Possible new SRU fragmenter setting
#93
JonasSchaub
opened
2 months ago
0
Making shell code in readme directly copyable
#92
JonasSchaub
closed
2 months ago
1
Issue 86
#91
FelixBaensch
closed
2 months ago
2
Toogle switch for boolean settings
#90
JonasSchaub
opened
2 months ago
1
Adding .tsv file extension to accepted import file types
#89
JonasSchaub
closed
2 months ago
2
Fragmenter settings in the pipeline view reflect back to the general fragmentation settings for the respective fragmenter.
#88
JonasSchaub
closed
2 months ago
3
CH3 is parent fragment of CH4 when using Scaffold Generator
#87
FelixBaensch
closed
2 months ago
3
Data will be lost dialog appears two times, once before and once after the file chooser
#86
JonasSchaub
closed
2 months ago
1
Add section to tutorial about the possibility to run MORTAR remotely on a server and tunnel the GUI to desktop using X
#85
JonasSchaub
closed
2 months ago
6
Swap parent structure column and parent ID/name column in fragments tab (more consistent with the other tabs where IDs/names always come first)
#84
JonasSchaub
closed
2 months ago
2
Menu bar not working when fragmentation is running
#83
JonasSchaub
closed
2 months ago
3
In Readme, use markdown instead of HTML formatting for the console input; GitHub will then make them immediately copyable
#82
JonasSchaub
closed
2 months ago
0
add .tsv extension (tab-separated values) to list of valid input files
#81
JonasSchaub
closed
2 months ago
4
Make tabs closeable, including close all functionality
#80
JonasSchaub
opened
2 months ago
3
Status bar should display a counter how many molecules were already fragmented out of the complete input list
#79
JonasSchaub
opened
2 months ago
0
Fix for issue 72, only one parent molecule for each fragment after pipeline
#78
JonasSchaub
closed
2 months ago
11
Check for file extension on export;
#76
FelixBaensch
closed
2 months ago
2
Export files without extension
#75
FelixBaensch
closed
2 months ago
2
Add drag'n'drop feature
#74
FelixBaensch
closed
2 months ago
3
Preparations for v1.2, adjusted version numbers, updated gradle wrapper, …
#73
JonasSchaub
closed
2 months ago
1
Parent structures overview in fragments tab of pipeline results shows only one parent
#72
JonasSchaub
closed
2 months ago
0
Marked keepLastFragmentSetting for pipelines as deprecated and removed…
#70
JonasSchaub
closed
2 months ago
1
Issue 59 pipeline settings view
#69
JonasSchaub
closed
2 months ago
1
Move the ideas and todos from our internal Google doc to the issues and discussions here
#68
JonasSchaub
opened
2 months ago
0
Turn Tutorial document into a markdown file and keep it here in GitHub
#67
JonasSchaub
opened
2 months ago
0
Implement a toogle switch for the boolean settings?
#66
JonasSchaub
opened
3 months ago
5
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