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MDAnalysis
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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
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release 0.4.0
#38
orbeckst
closed
6 years ago
8
use versioneer
#37
orbeckst
closed
6 years ago
6
set DX array type
#36
orbeckst
closed
6 years ago
14
Pymol can't read OpenDX file produced by GridDataFormats
#35
rxu2
closed
6 years ago
4
0.3.3 release tarball contains an unexpectedly named directory
#34
rathann
closed
7 years ago
3
override file detection with format kw
#33
orbeckst
closed
5 years ago
1
release 0.3.3
#32
kain88-de
closed
8 years ago
5
Add tempdir module and update test
#31
kain88-de
closed
8 years ago
2
Add conda badge
#30
kain88-de
closed
8 years ago
5
License of package
#29
kain88-de
closed
8 years ago
1
conda build scripts (fixes #27)
#28
kain88-de
closed
8 years ago
2
gridDataFormats conda build
#27
orbeckst
closed
8 years ago
2
make scipy import optional (issue #25)
#26
orbeckst
closed
8 years ago
0
make scipy optional
#25
orbeckst
closed
8 years ago
3
new 0.3.1. release soon
#24
orbeckst
closed
8 years ago
3
travis broke: cannot find conda
#23
orbeckst
closed
8 years ago
4
WIP: fix failure to write OpenDX file (Issue #21)
#22
orbeckst
closed
8 years ago
0
writing of dx files fails with "NotImplementedError: Only regularly spaced grids allowed"
#21
orbeckst
closed
8 years ago
0
Import gridData fails
#20
anuC
closed
9 years ago
6
README: added zenodo badge
#19
orbeckst
closed
9 years ago
0
WIP: fixing #17 (travis build failure due to missing libgfortran.so.1)
#18
orbeckst
closed
9 years ago
0
fix travis build failing due to missing libgfortran.1 lib
#17
orbeckst
closed
9 years ago
5
add CHANGELOG
#16
orbeckst
closed
9 years ago
0
Question: outstanding issues for a 0.3.0 release?
#15
orbeckst
closed
9 years ago
9
This should container builds in travis-CI
#14
kain88-de
closed
9 years ago
4
Cpp4 testing
#13
kain88-de
closed
9 years ago
0
automatically deploy docs from travis
#12
orbeckst
closed
9 years ago
0
README with coveralls and readthedocs badge
#11
orbeckst
closed
9 years ago
2
More tests
#10
kain88-de
closed
9 years ago
4
Python3
#9
kain88-de
closed
9 years ago
0
Python3
#8
kain88-de
closed
9 years ago
0
continuous integration
#7
orbeckst
closed
9 years ago
0
unit tests
#6
orbeckst
closed
6 years ago
8
Python 3
#5
kain88-de
closed
9 years ago
9
Add CCP4 format support
#4
holocronweaver
closed
9 years ago
3
Reads in real number as an integer and a float
#3
GarrettLimon1
closed
9 years ago
8
Parsing Speed
#2
holocronweaver
closed
6 years ago
2
Dump a grid to a pdb file at a given iso value
#1
jandom
closed
10 years ago
0
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