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KurtzmanLab
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SSTMap
Solvation Structure and Thermodynamic Mapping
MIT License
38
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23
forks
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python setup.py install fails
#125
yuqingxiong96
opened
5 months ago
0
Segmentation fault (core dumped) during all tests
#124
camattelaer
closed
8 months ago
1
Default arg for frame number to be analysed is zero: "ZeroDivisionError: float division by zero"
#123
Pippetta87
opened
8 months ago
0
installtion error
#122
xy127
opened
1 year ago
1
Unable to install in LinuxMint
#121
debanjansen48
opened
1 year ago
24
sstmap.org expired; no install instructions - conda fails, `python setup.py install` fails
#120
ljmartin
closed
1 year ago
2
No package metadata was found for sstmap
#119
Pippetta87
closed
1 year ago
1
Segmentation fault (core dumped)
#118
caiyingchun
closed
1 year ago
6
Segmentation fault (core dumped)
#117
debanjansen48
closed
1 year ago
4
Visualize and Interpretation of Results
#116
debanjansen48
closed
1 year ago
1
terminate called when running test_hsa
#115
leonwehrhan
closed
1 year ago
2
unable to execute
#114
kimlabSchatterjee
closed
1 year ago
2
Possible bugs: calculating probable configs and translational entropy
#113
qi-yuan-cresset
closed
1 year ago
1
Bug fix in probable config and translational entropy calculation.
#112
qi-yuan-cresset
opened
2 years ago
0
Inquiry on the .xtc file for solvation thermodynamics calculations
#111
AGGA32
closed
3 years ago
4
Running GIST fails with seg fault error
#110
fatlumH
closed
3 years ago
4
Index error during `run_gist`
#109
AGGA32
closed
3 years ago
10
Error on using Gromacs generated files in run_hsa
#108
AGGA32
closed
3 years ago
25
update url of sstmap
#107
autodataming
opened
3 years ago
0
import _sstmap_ext as calc ModuleNotFoundError: No module named '_sstmap_ext'.
#106
lu-lu-xue
closed
3 years ago
2
when I run test_gist_output.py, there is an unsolved error: test_gist_output.py: error: the following arguments are required: -t/--test_gist_summary, -r/--ref_gist_summary
#105
lu-lu-xue
closed
1 year ago
1
the simple-examples url can Not be accessed, could you help with?
#104
phenylazide
closed
3 years ago
2
Update the README file
#103
EricChen521
closed
4 years ago
0
Updated the installation page
#102
EricChen521
closed
4 years ago
0
fabs and 27 voxels
#101
EricChen521
closed
4 years ago
0
getting zero values for all of gist's term in output file
#100
Zahratehrani
closed
4 years ago
35
Other fixes to force Travis
#99
acruzpr
closed
5 years ago
0
Quaternion fix and version
#98
acruzpr
opened
5 years ago
0
Breakdown updates
#97
wutobias
closed
5 years ago
2
Add energetic breakdown statistics to run_gist
#96
gosldorf
closed
1 year ago
3
Fix bug starting from frame X
#95
acruzpr
closed
6 years ago
1
Fix gH summary problem
#94
acruzpr
closed
6 years ago
0
Keep f_enc in data summary
#93
acruzpr
closed
6 years ago
0
Acruz orion
#92
acruzpr
closed
6 years ago
1
setup automatic build from master at KurtzmanLab
#91
kamran-haider
closed
6 years ago
0
V1.1 dev
#90
kamran-haider
closed
6 years ago
0
Update grid_water_analysis.py
#89
gosldorf
closed
6 years ago
1
V1.1 dev
#88
kamran-haider
closed
6 years ago
0
Update current version on SSTMap.org
#87
tkurtzman
closed
1 year ago
0
Create 2018-02-07-ReleaseV1.1.md
#86
acruzpr
closed
6 years ago
0
Fixed gsl dependency issue
#85
kamran-haider
closed
6 years ago
0
fixed travis badge
#84
kamran-haider
closed
6 years ago
0
merging 1.1.0 which is passing all builds on travis
#83
kamran-haider
closed
6 years ago
0
attempting build from this repository
#82
kamran-haider
closed
6 years ago
0
moving build from dev to master
#81
kamran-haider
closed
6 years ago
0
Updating dev branch on main repo
#80
kamran-haider
closed
6 years ago
0
Merging dev 1.1.0 branch to master
#79
kamran-haider
closed
6 years ago
0
Added handling of non-orthorombic simulation boxes
#78
wutobias
closed
6 years ago
2
V1.1 dev
#77
acruzpr
closed
6 years ago
0
Pip and Conda Install
#76
tkurtzman
closed
1 year ago
0
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