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maxscheurer
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pycontact
Analysis of non-covalent interactions in MD trajectories
https://pycontact.github.io/
GNU General Public License v3.0
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QColor error
#50
RasmusFonseca
closed
6 years ago
3
Error when installing
#49
RasmusFonseca
closed
6 years ago
4
Visual Feedback of topology and trajectory file selection
#48
kain88-de
closed
6 years ago
2
LICENSE file is missing in MANIFEST.in
#47
kain88-de
closed
7 years ago
0
Your usage of the LGPL violates the GPL licensed used by MDAnalysis
#46
kain88-de
closed
7 years ago
2
Sort by residue
#45
maxscheurer
closed
7 years ago
0
Merge pull request #22 from maxscheurer/develop
#44
maxscheurer
closed
7 years ago
0
Bug in label drawing
#43
maxscheurer
opened
7 years ago
0
Remove VMD from ExportTabWidget
#42
maxscheurer
closed
7 years ago
0
Self-interaction on traj. read-in
#41
maxscheurer
closed
7 years ago
1
Finish SASA Widget
#40
maxscheurer
opened
7 years ago
0
Extend the plotting/export capability of "Statistics" windows
#39
maxscheurer
closed
7 years ago
2
FF independent hydrogen bond calculations
#38
maxscheurer
closed
7 years ago
0
created cuda branch with void kernel
#37
maxscheurer
opened
7 years ago
0
Again strange hbond behavior...
#36
maxscheurer
closed
7 years ago
0
Font sizes in plots
#35
maxscheurer
closed
7 years ago
0
Catching Zero Atom selections
#34
maxscheurer
closed
7 years ago
0
Bad benchmarks for Contact Accumulation Multicore
#33
maxscheurer
closed
7 years ago
0
Try out some fancy GPU calculations for SASA
#32
maxscheurer
opened
7 years ago
0
Getting ready for release
#31
maxscheurer
closed
7 years ago
2
Make MainWindow MVC style...
#30
maxscheurer
closed
7 years ago
2
Wrong Contact displayed in VMD if filters&sortings is applied
#29
maxscheurer
closed
7 years ago
0
Export Data from SASA GUI
#28
maxscheurer
closed
7 years ago
0
Sasa Gui is corrupted
#27
maxscheurer
closed
7 years ago
0
Chain in Analysis...
#26
maxscheurer
closed
7 years ago
1
Scripting interface to automate contact analyses
#25
maxscheurer
closed
7 years ago
0
Multicore trajectory loading wrong hbond number!
#24
maxscheurer
closed
7 years ago
1
Bug with QProgressBar on macOS
#23
maxscheurer
closed
7 years ago
0
restructuring everythin
#22
maxscheurer
closed
7 years ago
1
initial on cython branch
#21
maxscheurer
closed
7 years ago
0
Major cleanup
#20
maxscheurer
closed
7 years ago
0
Bug when analyzing
#19
maxscheurer
closed
7 years ago
1
Make the weight function customizable
#18
maxscheurer
closed
7 years ago
2
Bug in Export Widget
#17
maxscheurer
closed
7 years ago
0
Support for multiple file input formats
#16
maxscheurer
closed
7 years ago
2
DCD reading
#15
maxscheurer
closed
7 years ago
2
Preferences Panel on Linux platforms
#14
maxscheurer
closed
7 years ago
0
Export filtered contacts to plain text
#13
maxscheurer
closed
7 years ago
1
HBond colored label in timeline is "guessed"...
#12
maxscheurer
closed
7 years ago
0
Editing residue list
#11
maxscheurer
opened
7 years ago
2
Add info buttons to the input fields
#10
maxscheurer
closed
7 years ago
1
Basic code documentation where missing
#9
maxscheurer
closed
7 years ago
0
Core Number for SASA
#8
maxscheurer
closed
7 years ago
0
Filtering by IDs feature
#7
maxscheurer
closed
7 years ago
0
Multicore trajectory loading
#6
maxscheurer
closed
7 years ago
2
2D contact map in export
#5
maxscheurer
closed
7 years ago
1
Updating Export histogram view when timeline changed
#4
maxscheurer
closed
7 years ago
0
Load trajectories to SASA GUI
#3
maxscheurer
closed
7 years ago
0
Safe inputs and crashes
#2
maxscheurer
closed
7 years ago
1
Update selections every frame
#1
maxscheurer
closed
7 years ago
2
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