Ecosyste.ms: Issues

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GitHub / MDAnalysis/RotamerConvolveMD issues and pull requests

#37 - Installation issue with versioneer

Issue - State: closed - Opened by orbeckst about 4 years ago

#36 - add GoatCounter tracking to docs

Issue - State: closed - Opened by orbeckst over 4 years ago
Labels: docs

#35 - change doc style to MDA/UserGuide 1.0.0

Issue - State: closed - Opened by orbeckst over 4 years ago
Labels: docs

#34 - Segmentation fault

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

#33 - fix library.find_file() for local files

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

#32 - Possible bug wih MDAnalysis 0.16.2 and python 2.7

Issue - State: closed - Opened by lcupellini almost 5 years ago - 5 comments

#31 - useNOelectron required for convolve-mtss-rotamers.py

Issue - State: open - Opened by yfichou over 5 years ago - 3 comments
Labels: bug

#30 - add duecredit stubs

Issue - State: open - Opened by kain88-de about 6 years ago - 1 comment

#29 - No module named exceptions

Issue - State: closed - Opened by lukas-stelzl about 6 years ago - 1 comment

#28 - create sitemap.xml for docs

Issue - State: closed - Opened by orbeckst over 6 years ago - 2 comments

#27 - Install recipe (for users with old NumPy versions)

Issue - State: closed - Opened by lukas-stelzl over 6 years ago - 3 comments

#26 - Option to calculate DEER traces?

Issue - State: open - Opened by lukas-stelzl over 6 years ago - 1 comment
Labels: enhancement

#25 - 2011 tests fail

Issue - State: closed - Opened by orbeckst almost 7 years ago - 8 comments

#24 - Update library

Pull Request - State: closed - Opened by katrinr almost 7 years ago - 1 comment

#23 - Continuous integration: run tests on Travis CI

Issue - State: open - Opened by orbeckst almost 7 years ago
Labels: testing

#22 - include @katrinr as main author

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

#21 - update rotamer library

Issue - State: closed - Opened by orbeckst almost 7 years ago - 10 comments

#20 - upgrade to MDAnalysis 0.16.2

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

#19 - an error occurred when using convolve-mtss-rotamers_pre.py

Issue - State: closed - Opened by Gobliu about 7 years ago - 19 comments

#18 - release 1.3.0

Issue - State: closed - Opened by orbeckst about 8 years ago - 12 comments
Labels: release

#17 - MTSL label site

Issue - State: closed - Opened by MamtaMohan about 8 years ago - 4 comments

#16 - Readme + updated option flags as boolean

Pull Request - State: closed - Opened by katrinr about 8 years ago - 1 comment

#15 - Readme + more accurate distance calculations

Pull Request - State: closed - Opened by katrinr about 8 years ago - 3 comments

#14 - more accurate distance calculations by guessing positions of unpaired electrons?

Issue - State: closed - Opened by katrinr over 8 years ago - 5 comments
Labels: enhancement

#13 - update AUTHORS in README

Issue - State: closed - Opened by orbeckst over 8 years ago
Labels: docs

#12 - new update-pre branch (distance measurement: MTSL and HN atoms)

Pull Request - State: closed - Opened by katrinr over 8 years ago - 1 comment

#11 - update-pre

Pull Request - State: closed - Opened by katrinr over 8 years ago - 3 comments
Labels: enhancement

#10 - add conda build recipe

Pull Request - State: closed - Opened by kain88-de over 8 years ago
Labels: enhancement

#9 - add CHANGELOG file

Issue - State: closed - Opened by orbeckst over 8 years ago
Labels: docs

#8 - add AUTHORS file

Issue - State: closed - Opened by orbeckst over 8 years ago
Labels: docs

#7 - release 1.2.0

Issue - State: closed - Opened by orbeckst over 8 years ago - 10 comments
Labels: release

#6 - first rotamer is being skipped

Issue - State: closed - Opened by orbeckst over 8 years ago - 6 comments

#5 - additional output options

Pull Request - State: closed - Opened by katrinr over 8 years ago - 13 comments

#4 - update author email address

Issue - State: closed - Opened by orbeckst over 8 years ago - 2 comments

#3 - update to use mda >=0.11.0 API (fixes #2)

Pull Request - State: closed - Opened by kain88-de over 8 years ago - 22 comments

#2 - update to work with MDAnalysis 0.11.0

Issue - State: closed - Opened by orbeckst about 9 years ago - 1 comment

#1 - create online documentation

Issue - State: closed - Opened by orbeckst over 9 years ago
Labels: enhancement, docs