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molovol
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MoloVol
MoloVol is a free, cross-plattform, scientific software for volume and surface computations of single molecules and crystallographic unit cells.
https://molovol.com
MIT License
22
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4
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Improved dockerfile
#143
BSVogler
closed
2 months ago
0
Surface area is not output in command line interface
#142
hyotankuzure
closed
5 months ago
1
Install MoloVol directly to server
#141
jmaglic
closed
5 months ago
4
Integrate cmake build into dockerfile
#140
BSVogler
closed
6 months ago
0
MoloVov 1.1.1 MacOS Sonoma
#139
jp78fr
closed
6 months ago
3
fix build not working
#138
BSVogler
closed
1 year ago
0
Prepare launch for v1.1.1 – Link time optimisation update
#137
jmaglic
closed
1 year ago
0
Clean up
#136
jmaglic
closed
1 year ago
0
Dockerfiles cleanup
#135
BSVogler
closed
1 year ago
0
Result examples on web page
#134
rlavendomme
closed
1 year ago
0
Cpack dmg
#133
jmaglic
closed
1 year ago
0
Add CPack support for building Debian package
#132
jmaglic
closed
1 year ago
0
fix duplicate atoms at the border
#131
rlavendomme
closed
1 year ago
0
support compiling with cmake files
#130
BSVogler
closed
1 year ago
3
Vmol in summary
#129
rlavendomme
closed
1 year ago
1
Differentiate vdw and ionic radii in the UI
#128
rlavendomme
opened
2 years ago
0
Add feature: import ions separately
#127
jmaglic
closed
2 years ago
0
Ionic radii
#126
rlavendomme
closed
2 years ago
0
Improved probe shell type voxel search
#125
rlavendomme
opened
2 years ago
0
Optimization depth changes results in rare cases
#124
rlavendomme
opened
2 years ago
0
Remove Xcode files, provide Xcode support in CMake
#123
jmaglic
closed
2 years ago
0
Cli errormsg
#122
jmaglic
closed
2 years ago
0
CMake rework
#121
jmaglic
closed
2 years ago
0
MVP webform
#119
BSVogler
closed
1 year ago
0
UX: CLI is not telling which arguments are required
#118
BSVogler
closed
2 years ago
0
Default elements file not working
#117
BSVogler
closed
5 months ago
3
Allow compiling headless version without wxwidget
#116
BSVogler
opened
2 years ago
0
Add support for cmake
#115
jmaglic
closed
2 years ago
0
[Solved] Issue recognising space group from imported CIF file
#114
jmaglic
closed
2 years ago
0
Read charge from PDB files and list charged atoms separately
#113
jmaglic
closed
2 years ago
1
Allow exporting individual cavities
#112
jmaglic
opened
2 years ago
0
Make "Optimisation Depth" widget inaccessible on program start
#111
jmaglic
opened
2 years ago
0
Parallelising sections of the program to boost performance
#110
jmaglic
opened
2 years ago
1
Dockerfiles for REST-API for calculation back-end
#109
BSVogler
closed
2 years ago
2
CLI/headless build
#108
BSVogler
closed
2 years ago
4
Mac build is not notarized
#107
BSVogler
closed
2 years ago
1
V1.0.0 update
#106
rlavendomme
closed
2 years ago
0
Cavity type
#105
jmaglic
closed
2 years ago
0
Cif reader
#104
rlavendomme
closed
3 years ago
1
merge master
#103
rlavendomme
closed
3 years ago
0
Update version
#102
jmaglic
closed
3 years ago
0
Filepath fix
#101
jmaglic
closed
3 years ago
0
Recognize variants of space groups
#100
rlavendomme
closed
3 years ago
1
Add drop down control for probe 1 input
#99
jmaglic
closed
3 years ago
2
Report changes
#98
rlavendomme
closed
3 years ago
0
Add the ability to sort the cavity output table
#97
jmaglic
opened
3 years ago
2
[Solved] Executable requires libtiff.dylib to be installed (v0.1.0.dev)
#96
jmaglic
closed
3 years ago
0
Introduce static linking for libtiff in Makefile
#95
jmaglic
closed
3 years ago
0
Remove filesystem for backwards compatibility
#94
jmaglic
closed
3 years ago
0
Macroscopic volumes and areas calculation
#93
rlavendomme
closed
3 years ago
5
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