Ecosyste.ms: Issues

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GitHub / joaomcteixeira/taurenmd issues and pull requests

#67 - [BUG] Progress bar for `fext` only prints upon completion

Issue - State: open - Opened by menoliu about 2 years ago
Labels: bug

#66 - Add `--odir` option to `fext` client.

Pull Request - State: closed - Opened by joaomcteixeira about 2 years ago - 2 comments
Labels: enhancement, good first issue

#65 - update badges after 0.11

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

#64 - [QUESTION] Can't convert Amber's trajectories with `MDAnalysis`

Issue - State: open - Opened by vsheg over 2 years ago - 2 comments
Labels: question

#63 - Update logo in readme.

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

#62 - Improve documentations of `cli_rotations`

Pull Request - State: closed - Opened by joaomcteixeira almost 3 years ago - 2 comments
Labels: documentation

#61 - Add frame and trajectory time to `report`

Pull Request - State: closed - Opened by joaomcteixeira almost 3 years ago - 2 comments
Labels: enhancement

#60 - Revert to internal plots and more

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

#59 - tox-gh-actions second try

Pull Request - State: open - Opened by joaomcteixeira almost 3 years ago - 3 comments

#58 - Updates to MDAnalysis v2.0.0 and CI

Pull Request - State: closed - Opened by joaomcteixeira almost 3 years ago - 2 comments
Labels: enhancement, continous integration

#57 - Add mmcif compatibility to mdanalysis library

Pull Request - State: closed - Opened by joaomcteixeira almost 3 years ago - 3 comments
Labels: enhancement

#56 - Correct `insort` arguments in some clients

Pull Request - State: closed - Opened by joaomcteixeira almost 3 years ago - 1 comment
Labels: bug

#55 - Tilt torsion angles: yaw, roll, pitch update

Pull Request - State: closed - Opened by joaomcteixeira almost 3 years ago - 2 comments
Labels: enhancement

#54 - Improved trajectory report

Pull Request - State: closed - Opened by joaomcteixeira almost 3 years ago - 2 comments
Labels: enhancement

#53 - Solve this deprecation with openmm

Issue - State: open - Opened by joaomcteixeira almost 3 years ago
Labels: enhancement

#52 - Removed build badge

Pull Request - State: closed - Opened by joaomcteixeira over 3 years ago - 2 comments
Labels: continous integration

#51 - Migrate to GitHub Actions

Pull Request - State: closed - Opened by joaomcteixeira over 3 years ago - 2 comments
Labels: continous integration

#49 - updates citation to JOSS article

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: documentation

#48 - Joss proof reading

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: documentation

#47 - JOSS update i45

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

#46 - Clarifies CONTRIBUTION instructions

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: documentation

#45 - JOSS-review: comments about the paper

Issue - State: closed - Opened by Luthaf over 4 years ago - 5 comments
Labels: question

#44 - Progress bar

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 1 comment
Labels: enhancement

#43 - Improving taurenmd cmd

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 1 comment
Labels: enhancement

#42 - Adds input sort to all CLI interfaces

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 1 comment
Labels: enhancement

#41 - [DOCUMENTATION] test errors while going through contribution guideline

Issue - State: closed - Opened by Luthaf over 4 years ago - 6 comments
Labels: documentation

#40 - Updates tox.ini

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: continous integration

#39 - updates clis using mdtraj to read sequential trajectories

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: enhancement

#38 - [FEATURE] Update tox.ini

Issue - State: closed - Opened by joaomcteixeira over 4 years ago - 1 comment
Labels: enhancement

#37 - Install taurenmd from pip directly in Anaconda requirements.yml

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 1 comment
Labels: documentation, enhancement

#36 - [BUG] Broken installation with Anaconda

Issue - State: closed - Opened by Luthaf over 4 years ago - 5 comments
Labels: bug, documentation

#35 - [BUG] `pip3 install taurenmd[all]` fails with zsh

Issue - State: closed - Opened by Luthaf over 4 years ago - 2 comments
Labels: documentation

#34 - [DOCUMENTATION] Installation using Pipenv on ArchLinux

Issue - State: closed - Opened by amritagos over 4 years ago - 4 comments
Labels: documentation

#33 - Corrected command representation with quotes

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: bug

#32 - corrects alignto execution

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: bug

#31 - calculates distances using MDA.distance_array

Pull Request - State: open - Opened by joaomcteixeira over 4 years ago - 5 comments
Labels: enhancement

#30 - [FEATURE] Distances should be able to do periodic boundaries

Issue - State: open - Opened by richardjgowers over 4 years ago - 2 comments
Labels: enhancement

#29 - JOSS

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

#28 - New logo

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: documentation

#27 - removed unnecessary .ci folder

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: continous integration

#26 - Readme and Banner Logos

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: documentation

#25 - taurenmd logo!

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: documentation

#24 - Improves installation instructions

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: documentation

#23 - restructured pip dependencies hierarchy

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: enhancement

#22 - pip package deps

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: enhancement

#21 - does this initiates coverage before pytest

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

#20 - minimize travis

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

#19 - Improve Tox configuration

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: bug, enhancement, continous integration

#18 - Toximprove

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

#17 - Improved Tox env isolation

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: enhancement, continous integration

#16 - ReadTheDocs Mock configuration

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: bug, documentation

#15 - Control simtk lib import

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 3 comments
Labels: documentation, enhancement

#14 - Corrects version pring in docstring

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago
Labels: bug, documentation

#13 - Version 0.8.0 final beta

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: bug, documentation, enhancement, continous integration

#12 - Adds issue templates

Pull Request - State: closed - Opened by joaomcteixeira over 4 years ago - 2 comments
Labels: documentation

#11 - Reprepare ci

Pull Request - State: closed - Opened by joaomcteixeira almost 5 years ago
Labels: continous integration

#10 - Bump version: 0.7.0 → 0.7.1 develop to master

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

#9 - Merge develop 0.7.1 to master

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

#8 - Documentation improvement

Pull Request - State: closed - Opened by joaomcteixeira almost 5 years ago
Labels: documentation

#7 - Roll, Pitch and Yaw rotations

Pull Request - State: closed - Opened by joaomcteixeira almost 5 years ago
Labels: enhancement

#6 - RMSF Client

Pull Request - State: closed - Opened by joaomcteixeira almost 5 years ago - 1 comment
Labels: enhancement

#5 - appendable logs

Issue - State: closed - Opened by joaomcteixeira almost 5 years ago - 1 comment
Labels: enhancement

#4 - Pulls 0.5.0

Pull Request - State: closed - Opened by joaomcteixeira almost 5 years ago - 1 comment
Labels: enhancement

#3 - v0.4.1

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

#2 - OSX for Travis-CI

Issue - State: closed - Opened by joaomcteixeira almost 5 years ago - 1 comment
Labels: enhancement, wontfix, continous integration

#1 - Build AppVeyor on Py37

Issue - State: closed - Opened by joaomcteixeira almost 5 years ago
Labels: continous integration