galaxycomputationalchemistry galaxy-tools-compchem issues

galaxycomputationalchemistry / galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry

Apache License 2.0

14 stars 16 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

CTB vs. galaxy-tools-compchem?

#27 simonbray opened 5 years ago
0
acpype

#26 simonbray closed 5 years ago
4
Ambertools

#25 chrisbarnettster closed 5 years ago
4
Ambertools

#24 chrisbarnettster opened 5 years ago
0
Add more MDAnalysis tools and version update

#23 tsenapathi closed 5 years ago
5
add merge_top tool

#22 simonbray closed 5 years ago
2
DCCM tool added - error with loading the lattice package

#21 tsenapathi closed 5 years ago
5
Adding PCA vis tool

#20 tsenapathi closed 5 years ago
1
Adding more analysis tools

#19 tsenapathi closed 5 years ago
2
Changing Tests

#18 tsenapathi closed 5 years ago
2
Tools to keep tabs on

#17 chrisbarnettster opened 5 years ago
1
Changing tests

#16 tsenapathi closed 5 years ago
6
Tool fails for large dcd trajectories

#15 chrisbarnettster closed 5 years ago
5
fixing the matplotlib importing issue

#14 tsenapathi closed 5 years ago
1
the agg module needs to be set before importing the plt

#13 bgruening closed 5 years ago
0
Adding Analysis tools

#12 tsenapathi closed 5 years ago
1
Topologies

#11 simonbray opened 6 years ago
3
Structure & traj conversion tools

#10 simonbray closed 6 years ago
8
trajectory converter tool using MDTraj

#9 tsenapathi closed 6 years ago
6
Packmol missing features

#8 chrisbarnettster opened 6 years ago
0
Mdanalysis

#7 bgruening closed 6 years ago
0
Packmol

#6 chrisbarnettster closed 6 years ago
4
MDAnalysis wrappers

#5 tsenapathi closed 6 years ago
14
add gromacs wrappers

#4 simonbray closed 6 years ago
8
Bio3D wrappers

#3 tsenapathi closed 6 years ago
28
add travis yaml file

#2 bgruening closed 6 years ago
0
suites, packages and macros as top-level folders are probably not needed

#1 bgruening opened 6 years ago
0