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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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Issue loading topology/trajectory - BCL Error
#99
almeida85
opened
6 months ago
0
'DistanceSelection' is not defined
#98
almeida85
closed
6 months ago
0
Error loading data/trp file to new for mdanalysis 0.20?
#97
FriederikeBiermann
opened
8 months ago
6
MOduleNotFoundError: No module names 'MDAnalysis.core.Selection'
#96
walterssh
opened
8 months ago
2
Error while loading data: Probably you specified an atom selection with 0 atoms or invalid input files
#95
MinYRx
opened
10 months ago
0
segmention fault (core dumped)
#94
chenxiang999
opened
11 months ago
0
OMP: Warning #182
#93
hkzhang123
opened
1 year ago
1
functionality to write the contact data from job directly to file without GUI support
#92
barsur93
closed
1 year ago
2
Major refactoring and getting ready for conda-forge
#91
maxscheurer
opened
1 year ago
0
Error, crash when trying to Accumulate Scores
#90
nbayhi
closed
1 year ago
3
<< Trajectories from xTB package >>
#89
icamps
opened
1 year ago
2
Atom selection error with gromacs trajectory
#88
Gsk468
opened
2 years ago
1
Error: No module named 'MDAnalysis.core.Selection'
#87
neginsafaei
opened
2 years ago
4
VMD Control Panel error
#86
jomaldon
opened
2 years ago
2
Edge Case in Definition of "Hydrogen Bond" vs "Other" Contact Type
#85
RMCrean
opened
2 years ago
2
how to specify the atom selection (not error)
#84
tjrong123
opened
2 years ago
0
ModuleNotFoundError: No module named 'MDAnalysis.core.Selection'
#83
GLamprinidis
closed
1 year ago
4
issue in aroundPatch.py regarding DistanceSelection
#82
k-guruprasad
closed
1 year ago
1
No module named 'MDAnalysis.core.Selection when running pycontact
#81
PatSoto-BioPhys
closed
3 years ago
9
Error while loading data
#80
Maxim-93
opened
3 years ago
2
Pycontont crashes very often
#79
shalinim17
closed
1 year ago
1
no module core select
#78
georopon
closed
1 year ago
1
Questions about operational cores
#77
ErikZhang-9762
opened
3 years ago
0
Error loading gromacs output file
#76
ErikZhang-9762
closed
3 years ago
2
Export Side vs Main Chain Interaction Information to Text Files
#75
RMCrean
opened
3 years ago
0
Export Side vs Main Chain Contact Information to Text File
#74
RMCrean
opened
3 years ago
0
Alternatives for GROMACS output files
#73
fidelrmz
opened
3 years ago
1
Unable to install
#72
zelsan
closed
3 years ago
1
pycontact crashes when trying to write contact data to text file
#71
rabbitoh05
closed
4 years ago
4
Open .pdb trajectories
#70
loraleja
closed
4 years ago
0
During instalation of Py contact in LinuxMint 2019.1 getting error. Installed all liberaries but still int installing.Plz help
#69
debanjansen48
closed
4 years ago
5
Hydrogen bonds not getting detected
#68
nidhijbatra
opened
4 years ago
5
Not been able to install on Windows
#67
roshan2004
closed
4 years ago
1
Deposit newer version on pip
#66
maxscheurer
closed
4 years ago
0
Why pycontact does not support newer version of MDAnalysis?
#65
roshan2004
closed
5 years ago
1
Running setup.py bdist_wheel for pycontact ... error
#64
pilgrim6
closed
5 years ago
12
typo in import in aroundPatch.py
#63
MSiggel
closed
4 years ago
3
Tracking the distance change between contact residues of a heterodimer
#62
jrhaulung
closed
4 years ago
1
Running into error with .runJob
#61
bvelasq
closed
6 years ago
3
not running with python2 (dependency PyQt5.Widgets)
#60
j0kaso
closed
6 years ago
4
Cannot load files on Pycontact
#59
rupeshagarwal
closed
6 years ago
1
Refactoring main parts of the code
#58
maxscheurer
opened
6 years ago
0
Facelift
#57
maxscheurer
closed
6 years ago
0
update to MDAnalysis >= 0.17.0 (?)
#56
orbeckst
closed
4 years ago
3
tpr/xtc support
#55
wrmartin
closed
6 years ago
2
segmentation fault when starting pycontact
#54
jsarlouh
closed
6 years ago
3
Gtk-ERROR
#53
roshan2004
closed
6 years ago
1
Exporting contact data from script
#52
RasmusFonseca
opened
6 years ago
0
fixing bug from issue #50
#51
maxscheurer
closed
6 years ago
0
QColor error
#50
RasmusFonseca
closed
6 years ago
3
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