joaomcteixeira taurenmd issues

joaomcteixeira / taurenmd

A command-line interface for analysis of Molecular Dynamics simulations.

https://taurenmd.readthedocs.io/en/latest/

GNU General Public License v2.0

9 stars 2 forks source link

issues

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

#67 menoliu opened 2 years ago
0
Add `--odir` option to `fext` client.

#66 joaomcteixeira closed 2 years ago
2
update badges after 0.11

#65 joaomcteixeira closed 2 years ago
1
[QUESTION] Can't convert Amber's trajectories with `MDAnalysis`

#64 vsheg opened 2 years ago
2
Update logo in readme.

#63 joaomcteixeira closed 2 years ago
2
Improve documentations of `cli_rotations`

#62 joaomcteixeira closed 2 years ago
2
Add frame and trajectory time to `report`

#61 joaomcteixeira closed 2 years ago
2
Revert to internal plots and more

#60 joaomcteixeira closed 2 years ago
3
tox-gh-actions second try

#59 joaomcteixeira opened 2 years ago
3
Updates to MDAnalysis v2.0.0 and CI

#58 joaomcteixeira closed 2 years ago
2
Add mmcif compatibility to mdanalysis library

#57 joaomcteixeira closed 2 years ago
3
Correct `insort` arguments in some clients

#56 joaomcteixeira closed 2 years ago
1
Tilt torsion angles: yaw, roll, pitch update

#55 joaomcteixeira closed 2 years ago
2
Improved trajectory report

#54 joaomcteixeira closed 2 years ago
2
Solve this deprecation with openmm

#53 joaomcteixeira opened 2 years ago
0
Removed build badge

#52 joaomcteixeira closed 3 years ago
2
Migrate to GitHub Actions

#51 joaomcteixeira closed 3 years ago
2
updates citation to JOSS article

#49 joaomcteixeira closed 4 years ago
2
Joss proof reading

#48 joaomcteixeira closed 4 years ago
2
JOSS update i45

#47 joaomcteixeira closed 4 years ago
2
Clarifies CONTRIBUTION instructions

#46 joaomcteixeira closed 4 years ago
2
JOSS-review: comments about the paper

#45 Luthaf closed 4 years ago
5
Progress bar

#44 joaomcteixeira closed 4 years ago
1
Improving taurenmd cmd

#43 joaomcteixeira closed 4 years ago
1
Adds input sort to all CLI interfaces

#42 joaomcteixeira closed 4 years ago
1
[DOCUMENTATION] test errors while going through contribution guideline

#41 Luthaf closed 4 years ago
6
Updates tox.ini

#40 joaomcteixeira closed 4 years ago
2
updates clis using mdtraj to read sequential trajectories

#39 joaomcteixeira closed 4 years ago
2
[FEATURE] Update tox.ini

#38 joaomcteixeira closed 4 years ago
1
Install taurenmd from pip directly in Anaconda requirements.yml

#37 joaomcteixeira closed 4 years ago
1
[BUG] Broken installation with Anaconda

#36 Luthaf closed 4 years ago
5
[BUG] `pip3 install taurenmd[all]` fails with zsh

#35 Luthaf closed 4 years ago
2
[DOCUMENTATION] Installation using Pipenv on ArchLinux

#34 amritagos closed 4 years ago
4
Corrected command representation with quotes

#33 joaomcteixeira closed 4 years ago
2
corrects alignto execution

#32 joaomcteixeira closed 4 years ago
2
calculates distances using MDA.distance_array

#31 joaomcteixeira opened 4 years ago
5
[FEATURE] Distances should be able to do periodic boundaries

#30 richardjgowers opened 4 years ago
2
JOSS

#29 joaomcteixeira closed 4 years ago
2
New logo

#28 joaomcteixeira closed 4 years ago
2
removed unnecessary .ci folder

#27 joaomcteixeira closed 4 years ago
2
Readme and Banner Logos

#26 joaomcteixeira closed 4 years ago
2
taurenmd logo!

#25 joaomcteixeira closed 4 years ago
2
Improves installation instructions

#24 joaomcteixeira closed 4 years ago
2
restructured pip dependencies hierarchy

#23 joaomcteixeira closed 4 years ago
2
pip package deps

#22 joaomcteixeira closed 4 years ago
2
does this initiates coverage before pytest

#21 joaomcteixeira closed 4 years ago
3
minimize travis

#20 joaomcteixeira closed 4 years ago
0
Improve Tox configuration

#19 joaomcteixeira closed 4 years ago
2
Toximprove

#18 joaomcteixeira closed 4 years ago
3
Improved Tox env isolation

#17 joaomcteixeira closed 4 years ago
2