Becksteinlab/propkatraj issues and pull requests

#77 - update docs GHA workflow

Issue - State: open - Opened by orbeckst 4 months ago - 1 comment
Labels: bug

#76 - [docs] sitemap not generated

Issue - State: open - Opened by orbeckst 4 months ago

#75 - release 2.0.1

Issue - State: closed - Opened by orbeckst 4 months ago - 1 comment

#74 - add auto-deploy GHA workflow

Pull Request - State: closed - Opened by orbeckst 4 months ago - 3 comments

#73 - Switch no filename test

Pull Request - State: closed - Opened by IAlibay 7 months ago - 1 comment

#72 - Tests fail for MDAKit registry check

Issue - State: closed - Opened by orbeckst 7 months ago - 2 comments

#71 - install propkatraj for doc building

Pull Request - State: closed - Opened by orbeckst 9 months ago - 1 comment

#70 - update CI matrix

Pull Request - State: closed - Opened by orbeckst 9 months ago - 4 comments

#69 - Python 3.9 CI failing due to MDAnalysis develop supporting different py than stable

Issue - State: closed - Opened by orbeckst 9 months ago

#68 - [WIP] unpin propka to 3.1+

Pull Request - State: open - Opened by IAlibay about 1 year ago - 1 comment

#67 - fix docs deployment

Pull Request - State: closed - Opened by IAlibay about 1 year ago - 1 comment

#66 - Docs no longer deploy properly

Issue - State: closed - Opened by IAlibay about 1 year ago - 2 comments

#65 - Update for versioningit and stuff

Pull Request - State: closed - Opened by IAlibay about 1 year ago - 6 comments

#64 - AttributeError: module 'propkatraj' has no attribute 'get_propka'

Issue - State: closed - Opened by evelyne-deplazes over 1 year ago - 2 comments

#63 - Removing Python 3.8 from CI

Pull Request - State: closed - Opened by ianmkenney over 1 year ago - 1 comment

#62 - sphinx docs fail to build with `python setup.py build_sphinx`

Issue - State: closed - Opened by orbeckst over 1 year ago - 1 comment

#61 - Make python support 3.9+

Issue - State: closed - Opened by IAlibay over 1 year ago - 3 comments

#60 - do not run codecov for cron CI

Pull Request - State: closed - Opened by orbeckst over 1 year ago - 9 comments

#59 - remove CRON CI codecov

Issue - State: closed - Opened by orbeckst over 1 year ago

#58 - Add extra files to manifest

Pull Request - State: closed - Opened by IAlibay almost 2 years ago - 2 comments

#57 - Fix for packaging

Pull Request - State: closed - Opened by IAlibay almost 2 years ago - 1 comment

#56 - try to fix sphinx rendering

Pull Request - State: closed - Opened by IAlibay almost 2 years ago - 5 comments

#55 - api doc formatting of argument lists messed up

Issue - State: closed - Opened by orbeckst almost 2 years ago - 4 comments

#54 - Add codecov token

Pull Request - State: closed - Opened by IAlibay almost 2 years ago - 1 comment

#53 - use CODECOV_TOKEN

Issue - State: closed - Opened by orbeckst almost 2 years ago

#52 - Docs and powered by MDA badges

Pull Request - State: closed - Opened by ianmkenney almost 2 years ago - 3 comments

#51 - License set to gplv2+

Pull Request - State: closed - Opened by ianmkenney almost 2 years ago - 1 comment

#50 - v2.0.0

Pull Request - State: closed - Opened by ianmkenney almost 2 years ago - 1 comment

#49 - Retire dev branch

Pull Request - State: closed - Opened by ianmkenney almost 2 years ago - 1 comment

#48 - Fix license

Issue - State: closed - Opened by IAlibay almost 2 years ago - 3 comments

#47 - change badges to point to main

Pull Request - State: closed - Opened by orbeckst almost 2 years ago - 4 comments

#46 - Ignore vendored files in coverage

Pull Request - State: closed - Opened by IAlibay almost 2 years ago - 3 comments

#45 - add doc badge to README

Issue - State: closed - Opened by orbeckst almost 2 years ago

#44 - only use one "main" branch

Issue - State: closed - Opened by orbeckst almost 2 years ago - 2 comments

#43 - conda-forge package

Issue - State: open - Opened by ianmkenney about 2 years ago - 1 comment

#42 - Add propka 3.4 support

Issue - State: closed - Opened by ianmkenney about 2 years ago - 2 comments

#41 - add new pypi maintainers

Issue - State: closed - Opened by orbeckst about 2 years ago - 2 comments

#40 - Set up proper documentation with Sphinx

Pull Request - State: closed - Opened by ianmkenney about 2 years ago - 6 comments

#39 - Fix coveragerc to not try to cover things that we don't need to check

Issue - State: closed - Opened by IAlibay about 2 years ago - 1 comment

#38 - Upgrade documentation

Issue - State: closed - Opened by ianmkenney about 2 years ago - 1 comment

#37 - 2.0.0 release

Issue - State: closed - Opened by ianmkenney about 2 years ago - 8 comments

#36 - Added compatibility with MDAnalysis 2.4

Pull Request - State: closed - Opened by ianmkenney about 2 years ago - 14 comments

#35 - Added compatibility with MDAnalysis 2.4

Pull Request - State: closed - Opened by ianmkenney about 2 years ago - 1 comment

#34 - Reformat for MDAnalysis 2.0

Issue - State: closed - Opened by IAlibay over 3 years ago - 1 comment

#33 - Add powered by MDAnalysis badge

Issue - State: closed - Opened by IAlibay almost 4 years ago - 1 comment

#32 - Latest propka no compatible with MDA < 1.0: AttributeError: 'PropkaTraj' object has no attribute 'times'

Issue - State: closed - Opened by WillPPK about 4 years ago - 7 comments

#31 - Be stricter on the protein residue check

Issue - State: open - Opened by IAlibay over 4 years ago - 1 comment

#30 - remove deprecated functionality

Issue - State: closed - Opened by orbeckst over 4 years ago - 1 comment

#29 - release 1.1

Issue - State: closed - Opened by orbeckst over 4 years ago - 2 comments

#28 - notebook docs: typos + nbviewer issues

Pull Request - State: closed - Opened by IAlibay over 4 years ago - 1 comment

#27 - doc notebook does not display in nbviewer

Issue - State: closed - Opened by orbeckst over 4 years ago - 1 comment

#26 - Creates AnalysisBase function PropkaTraj

Pull Request - State: closed - Opened by IAlibay over 4 years ago - 3 comments

#25 - Add tests for bad frames

Pull Request - State: closed - Opened by IAlibay over 4 years ago - 2 comments

#24 - Comparison against standard propka call fails (HETATM issue)

Issue - State: open - Opened by IAlibay over 4 years ago - 1 comment

#23 - get_propka will fail with file generated via `fetch_mmtf`

Issue - State: closed - Opened by IAlibay over 4 years ago - 1 comment

#22 - Passing an index array fails

Issue - State: closed - Opened by IAlibay over 4 years ago - 2 comments

#21 - Sets up Travis/Codecov + basic regression tests

Pull Request - State: closed - Opened by IAlibay over 4 years ago - 4 comments

#20 - Review/update to work with propka >= 3.3.0

Issue - State: open - Opened by orbeckst over 4 years ago - 12 comments

#19 - ProgressMeter removal in MDAnalysis 2.0

Issue - State: closed - Opened by IAlibay over 4 years ago - 2 comments

#18 - Error running propkatraj as in tutorial

Issue - State: closed - Opened by nehadelsalamouny over 5 years ago - 2 comments

#17 - zenodo integration

Pull Request - State: closed - Opened by orbeckst over 5 years ago

#16 - Python 3 cannot deal with cStringIO

Issue - State: closed - Opened by orbeckst almost 7 years ago
Labels: bug

#15 - add zenodo badge

Issue - State: closed - Opened by orbeckst about 7 years ago

#14 - Try/Except includes AttributeType error

Pull Request - State: closed - Opened by rsexton2 about 7 years ago

#13 - PROPKA failure 'None_type'

Issue - State: closed - Opened by rsexton2 about 7 years ago

#12 - add AUTHORS file

Issue - State: closed - Opened by orbeckst over 7 years ago

#11 - skipping frames where PROPKA fails

Pull Request - State: closed - Opened by rsexton2 over 7 years ago

#10 - allow skipping of frames where PROPKA fails

Issue - State: closed - Opened by orbeckst over 7 years ago - 3 comments

#9 - parallelize with pmda

Issue - State: closed - Opened by orbeckst over 7 years ago - 1 comment

#8 - pip installation

Issue - State: closed - Opened by orbeckst almost 8 years ago - 3 comments

#7 - citing

Issue - State: closed - Opened by orbeckst almost 8 years ago - 1 comment

#6 - Get_propka docs reference MDS

Issue - State: closed - Opened by orbeckst almost 8 years ago - 1 comment

#5 - WIP: Added proper setup.py; untested

Pull Request - State: closed - Opened by dotsdl almost 8 years ago - 1 comment

GitHub / Becksteinlab/propkatraj issues and pull requests