issues
search
MDAnalysis
/
GridDataFormats
GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
https://mdanalysis.org/GridDataFormats
GNU Lesser General Public License v3.0
29
stars
18
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Use scientific notation for the delta representation
#88
xiki-tempula
closed
3 years ago
9
The double quotation mark in DX file format cannot be read by APBS
#87
xiki-tempula
closed
3 years ago
2
MAINT: Switch from Travis to Github actions for CI
#86
IAlibay
closed
3 years ago
2
MNT: Stop using ci-helpers in appveyor.yml
#85
pllim
closed
3 years ago
2
Make interpolation outside of known map 0.
#84
jvermaas
closed
4 years ago
7
CCP4 file format is out of date
#83
tluchko
closed
2 years ago
6
update privacy notice
#82
orbeckst
closed
4 years ago
1
travis CI Python 2.7 fails due to sphinx/sphinx-sitemap installation issue
#81
orbeckst
closed
4 years ago
0
change doc style to MDA/UserGuide 1.0.0
#80
orbeckst
closed
4 years ago
0
add GoatCounter tracking to docs
#79
orbeckst
closed
4 years ago
1
Fix Centers function
#78
acruzpr
opened
4 years ago
7
Centers fucntion is not giving the right coordinates
#77
acruzpr
opened
4 years ago
11
Wrong conversion from CCP4 to DX
#76
nezix
closed
2 years ago
5
Support for old UHBD grid files
#75
eloyfelix
opened
4 years ago
0
fix multiple __init__ calls
#74
eloyfelix
closed
4 years ago
1
multiple Grid __init__ calls can break extended Grid classes
#73
eloyfelix
closed
4 years ago
0
fix #71 init of core.Grid metadata
#72
ReneHamburger1993
closed
4 years ago
2
core.Grid metadata badly initialized
#71
ReneHamburger1993
closed
4 years ago
1
read APBS .dx.gz generated grids
#70
eloyfelix
closed
4 years ago
16
Incomplete documentation for properties
#69
VVelda
closed
2 years ago
1
release 1.0.0
#68
orbeckst
closed
2 years ago
3
better handling of Grid initialization
#67
orbeckst
closed
5 years ago
1
Installation from master not detected by MDAnalysis
#66
RMeli
closed
5 years ago
2
more tests/fixes
#65
orbeckst
closed
5 years ago
1
Grid.save(filename) mangles filename
#64
orbeckst
closed
5 years ago
0
improves inheritance of Grid
#63
orbeckst
closed
5 years ago
1
release 0.4.1
#62
orbeckst
closed
5 years ago
1
run tests on AppVeyor
#61
orbeckst
closed
5 years ago
2
fix reading of nrstart and ncstart in CCP4 format
#60
orbeckst
closed
5 years ago
0
AttributeError: 'Grid' object has no attribute 'grid'
#59
StefanGIT
closed
5 years ago
6
Work around more DX parsing issues by other apps
#58
giacomofiorin
closed
5 years ago
8
Bug in CCP4.py
#57
Digp
closed
5 years ago
2
Problems inheriting from gridData's Grid class
#56
AstroMike
closed
5 years ago
3
change test_write_dx_value_error to be arch/compiler agnostic
#55
orbeckst
closed
6 years ago
2
CCP4 byteorder detection
#54
orbeckst
closed
5 years ago
3
converted tests from nosetest to pytest
#53
orbeckst
closed
6 years ago
6
Updated parsing for DX files
#52
tluchko
closed
6 years ago
12
gridData.tests.test_dx.test_write_dx_ValueError fails on ARM 32-bit
#51
rathann
closed
6 years ago
6
gridData.tests.test_ccp4.test_ccp4 test fails on big-endian arches
#50
rathann
closed
2 years ago
15
switch from nosetest to pytest
#49
orbeckst
closed
6 years ago
0
create sitemap.xml
#48
orbeckst
closed
6 years ago
1
create appveyor config
#47
orbeckst
closed
5 years ago
3
Grid parsing error (non-standard format)
#46
amrhamedp
closed
6 years ago
3
use longdouble instead of float128 in test_write_dx_ValueError
#45
rathann
closed
6 years ago
6
test failure: float128 in test_dx.py raises TypeError instead of ValueError
#44
rathann
closed
6 years ago
5
update conda maintainer info
#43
kain88-de
closed
6 years ago
2
updated sphinx theme
#42
orbeckst
closed
6 years ago
1
add conda-forge procedure to MAINTAINER.md
#41
orbeckst
closed
6 years ago
0
add requirements file for RTD (#39)
#40
orbeckst
closed
6 years ago
1
RTD build failing
#39
orbeckst
closed
6 years ago
3
Previous
Next