MDAnalysis/GridDataFormats
GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
PythonLGPL-3.0
Issues
- 6
- 4
Auto-populate authors in docs
#93 opened by IAlibay - 7
release 1.0.2
#129 opened by orbeckst - 0
doc CI fails
#132 opened by orbeckst - 0
replace deprecated pkg_resources with importlib
#130 opened by orbeckst - 1
- 11
- 4
Impossible reading .ccp4 data
#122 opened by plongo-fzj - 1
Outdated deploy action?
#119 opened by RMeli - 15
- 1
Release 1.0.1 conda
#118 opened by orbeckst - 7
Update setup to be NEP29 compliant
#112 opened by IAlibay - 3
release 1.0.0
#68 opened by orbeckst - 1
remove CCP4 module
#107 opened by orbeckst - 2
adopt NEP29
#102 opened by orbeckst - 1
Read (and write) triclinic MRC files
#109 opened by tluchko - 1
Add support for writing MRC files
#108 opened by tluchko - 6
release 0.7.0
#103 opened by orbeckst - 3
run RTD with CI
#104 opened by orbeckst - 1
Incomplete documentation for properties
#69 opened by VVelda - 5
Wrong conversion from CCP4 to DX
#76 opened by nezix - 6
CCP4 file format is out of date
#83 opened by tluchko - 5
support Python 3.10
#101 opened by orbeckst - 3
release 0.6.0
#97 opened by orbeckst - 0
- 0
sitemap.xml contains broken links
#95 opened by orbeckst - 9
- 1
make CI checks mandatory
#94 opened by orbeckst - 0
Docs deployment broken
#91 opened by IAlibay - 2
MNT: Stop using ci-helpers in appveyor.yml
#85 opened by pllim - 2
- 2
- 0
change doc style to MDA/UserGuide 1.0.0
#80 opened by orbeckst - 1
add GoatCounter tracking to docs
#79 opened by orbeckst - 0
- 0
- 0
Support for old UHBD grid files
#75 opened by eloyfelix - 1
core.Grid metadata badly initialized
#71 opened by ReneHamburger1993 - 6
- 2
Installation from master not detected by MDAnalysis
#66 opened by RMeli - 1
release 0.4.1
#62 opened by orbeckst - 0
Grid.save(filename) mangles filename
#64 opened by orbeckst - 3
Problems inheriting from gridData's Grid class
#56 opened by AstroMike - 3
create appveyor config
#47 opened by orbeckst - 2
Bug in CCP4.py
#57 opened by Digp - 6
- 0
switch from nosetest to pytest
#49 opened by orbeckst - 3
Grid parsing error (non-standard format)
#46 opened by amrhamedp - 1
create sitemap.xml
#48 opened by orbeckst - 5