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MDAnalysis
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RotamerConvolveMD
Analysis of molecular dynamics trajectories or conformational ensembles in terms of spin-label distances as probed in double electron-electron resonance (DEER) experiments.
https://www.mdanalysis.org/RotamerConvolveMD
GNU General Public License v2.0
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Installation issue with versioneer
#37
orbeckst
closed
4 years ago
0
add GoatCounter tracking to docs
#36
orbeckst
closed
4 years ago
0
change doc style to MDA/UserGuide 1.0.0
#35
orbeckst
closed
4 years ago
0
Segmentation fault
#34
AnsgarSiemer
opened
4 years ago
1
fix library.find_file() for local files
#33
orbeckst
closed
4 years ago
0
Possible bug wih MDAnalysis 0.16.2 and python 2.7
#32
lcupellini
closed
4 years ago
5
useNOelectron required for convolve-mtss-rotamers.py
#31
yfichou
opened
5 years ago
3
add duecredit stubs
#30
kain88-de
opened
5 years ago
1
No module named exceptions
#29
lukas-stelzl
closed
5 years ago
1
create sitemap.xml for docs
#28
orbeckst
closed
4 years ago
2
Install recipe (for users with old NumPy versions)
#27
lukas-stelzl
closed
5 years ago
3
Option to calculate DEER traces?
#26
lukas-stelzl
opened
6 years ago
1
2011 tests fail
#25
orbeckst
closed
5 years ago
8
Update library
#24
katrinr
closed
6 years ago
1
Continuous integration: run tests on Travis CI
#23
orbeckst
opened
6 years ago
0
include @katrinr as main author
#22
orbeckst
closed
6 years ago
2
update rotamer library
#21
orbeckst
closed
6 years ago
10
upgrade to MDAnalysis 0.16.2
#20
orbeckst
closed
6 years ago
0
an error occurred when using convolve-mtss-rotamers_pre.py
#19
Gobliu
closed
6 years ago
19
release 1.3.0
#18
orbeckst
closed
5 years ago
12
MTSL label site
#17
MamtaMohan
closed
8 years ago
4
Readme + updated option flags as boolean
#16
katrinr
closed
8 years ago
1
Readme + more accurate distance calculations
#15
katrinr
closed
8 years ago
3
more accurate distance calculations by guessing positions of unpaired electrons?
#14
katrinr
closed
6 years ago
5
update AUTHORS in README
#13
orbeckst
closed
8 years ago
0
new update-pre branch (distance measurement: MTSL and HN atoms)
#12
katrinr
closed
8 years ago
1
update-pre
#11
katrinr
closed
8 years ago
3
add conda build recipe
#10
kain88-de
closed
8 years ago
0
add CHANGELOG file
#9
orbeckst
closed
8 years ago
0
add AUTHORS file
#8
orbeckst
closed
8 years ago
0
release 1.2.0
#7
orbeckst
closed
8 years ago
10
first rotamer is being skipped
#6
orbeckst
closed
8 years ago
6
additional output options
#5
katrinr
closed
8 years ago
13
update author email address
#4
orbeckst
closed
8 years ago
2
update to use mda >=0.11.0 API (fixes #2)
#3
kain88-de
closed
8 years ago
22
update to work with MDAnalysis 0.11.0
#2
orbeckst
closed
8 years ago
1
create online documentation
#1
orbeckst
closed
6 years ago
0