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MDAnalysis
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membrane-curvature
MDAnalysis tool to calculate membrane curvature.
https://membrane-curvature.readthedocs.io/
GNU General Public License v3.0
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Added membrane curvature units info to docstrings
#82
ojeda-e
closed
2 years ago
4
Added changelog and description in setup.py
#81
ojeda-e
closed
2 years ago
2
Curvature docstrings don't include units
#80
ojeda-e
closed
2 years ago
0
Warning messages not logged
#79
ojeda-e
closed
2 years ago
0
Updated tutorial membrane-only system.
#78
ojeda-e
closed
2 years ago
18
To do for next release
#77
ojeda-e
closed
2 years ago
0
Added installation instructions to doc pages.
#76
ojeda-e
closed
2 years ago
1
Fixed sign of mean curvature
#75
ojeda-e
closed
2 years ago
3
Update tutorial membrane-only
#74
ojeda-e
closed
2 years ago
0
Installation instructions missing in RTD
#73
ojeda-e
closed
2 years ago
0
Fixed MembraneCurvature import in API docs
#72
ojeda-e
closed
2 years ago
4
Example in API docs displays incorrect import
#71
ojeda-e
closed
2 years ago
0
Sign of mean curvature
#70
lilyminium
closed
2 years ago
1
Added ipynb tutorial - membrane-protein.
#69
ojeda-e
closed
2 years ago
36
Missing tutorial membrane-protein system
#68
ojeda-e
closed
2 years ago
0
Added installation via pip
#67
ojeda-e
closed
3 years ago
8
Add installation instructions via pip
#66
ojeda-e
closed
3 years ago
0
Updated README
#65
ojeda-e
closed
3 years ago
1
Added ipynb tutorial
#64
ojeda-e
closed
3 years ago
20
Incomplete documentation 3/3
#63
ojeda-e
closed
3 years ago
0
Updated docs pages
#62
ojeda-e
closed
3 years ago
6
updated license to GPLv3
#61
ojeda-e
closed
3 years ago
2
consistent license
#60
orbeckst
closed
3 years ago
3
fix doc things
#59
orbeckst
closed
3 years ago
5
Incomplete documentation 2/3
#58
ojeda-e
closed
3 years ago
0
Updated API docs
#57
ojeda-e
closed
3 years ago
3
Incomplete Documentation 1/3 (API)
#56
ojeda-e
closed
3 years ago
0
Updated Docs link in badge
#55
ojeda-e
closed
3 years ago
2
Installation instructions
#54
lilyminium
closed
3 years ago
1
Documentation badge doesn't point to helpful docs
#53
lilyminium
closed
3 years ago
1
Surface Interpolation Function [Fixes Issue45]
#52
ojeda-e
closed
8 months ago
5
Possible CI solution [PR #49 target]
#51
IAlibay
closed
3 years ago
6
Exception in `surface.py` is never raised after adding coordinate wrapping.
#50
ojeda-e
closed
3 years ago
3
MDA>=2.0.0 version added to `install_requires`
#49
ojeda-e
closed
3 years ago
8
Add coordinate wrapping
#48
ojeda-e
closed
3 years ago
13
NPT fluctuations excluded
#47
ojeda-e
opened
3 years ago
0
Version of MDA in `setup.py`
#46
ojeda-e
closed
3 years ago
0
Undefined values in bins occupied by insertion in membrane.
#45
ojeda-e
opened
3 years ago
7
Added explicit imports.
#44
ojeda-e
closed
3 years ago
2
AnalysisBase
#43
ojeda-e
closed
3 years ago
17
Investigate effect of `np.float32` cast in code performance.
#42
ojeda-e
closed
3 years ago
4
AnalysisBase refactor
#41
lilyminium
closed
3 years ago
2
Added `derive_surface` and `get_positions` with tests.
#40
ojeda-e
closed
3 years ago
6
Break `core_fast_leaflet` into functions.
#39
ojeda-e
closed
3 years ago
0
Requested changes to initial refactor
#38
ojeda-e
closed
3 years ago
6
Finish initial code refactor
#37
ojeda-e
closed
3 years ago
1
Add pbc conditions to in mapping coordinates to grid.
#36
ojeda-e
closed
3 years ago
17
Define grid size for different box shapes.
#35
ojeda-e
closed
3 years ago
2
Initial refactor and test added [Fixes #33]
#34
ojeda-e
closed
3 years ago
4
Refactor `core_fast_leaflet` and `core_fast` and add test using toy model.
#33
ojeda-e
closed
3 years ago
0
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