issues
search
ChemBioHTP
/
EnzyHTP
EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
https://enzyhtp-doc.readthedocs.io
Other
11
stars
1
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Chrisjurich/fixing tests
#88
chrisjurich
closed
1 year ago
0
Chrisjurich/fix chemdb
#87
chrisjurich
closed
1 year ago
1
development need for EnzyTrun
#86
shaoqx
opened
1 year ago
0
Shaoqz/refactor protonation&clean
#85
shaoqx
closed
1 year ago
1
Need to make file writing thread safe
#84
shaoqx
opened
2 years ago
2
Update: EOD. make interface for protonation
#83
shaoqx
closed
2 years ago
0
Shaoqz/refactor structure pdb io
#82
shaoqx
closed
2 years ago
1
Xinchun/conf json loader updated
#81
Xinchunran
closed
1 year ago
1
Address missing parameter from antechamber
#80
shaoqx
opened
2 years ago
0
Support for artificial residues
#79
shaoqx
opened
2 years ago
0
Paul/conf prod json loader
#78
KleinesMesser
closed
1 year ago
1
Fix the bug reading ANISOU record
#77
shaoqx
opened
2 years ago
1
Bugfix: raise a bug of PDB w/o chain id & w/ANISOU
#76
shaoqx
closed
2 years ago
1
Shaoqz/refactor structure attr mod
#75
shaoqx
closed
2 years ago
0
Shaoqz/refactor structure clean up
#74
shaoqx
closed
2 years ago
0
submit refactor assignment of run_command() and its test
#73
alvinnebula
closed
1 year ago
1
Xinchun/conf equi json loader
#72
Xinchunran
closed
1 year ago
3
Address dead methods in Structure class
#71
shaoqx
opened
2 years ago
0
Address residue key in Residue class
#70
shaoqx
opened
2 years ago
0
Address residue/atom indexing issue in Structure parsing
#69
shaoqx
opened
2 years ago
0
Address overwriting situations of add/insert children objects of Structure class
#68
shaoqx
opened
2 years ago
0
Decouple structure module with PDB I/O
#67
shaoqx
opened
2 years ago
0
Shaoqz/refactor review structure module
#66
shaoqx
closed
2 years ago
0
Support user assigned ligand dir in PDB2FF
#65
shaoqx
opened
2 years ago
0
Chrisjurich/feature new mutation submodule
#64
chrisjurich
closed
2 years ago
1
Chrisjurich/feature new mutation submodule
#63
chrisjurich
closed
2 years ago
0
Make a testing dataset of different types of structures to prepare
#62
shaoqx
opened
2 years ago
0
Shaoqz/fix accre sbatch timeout
#61
shaoqx
closed
2 years ago
0
sbatch time-out issue
#60
KleinesMesser
closed
2 years ago
0
cpu_mem cannot parse strings with unit 'G'
#59
KleinesMesser
closed
2 years ago
2
Shaoqz/fix accre get status
#58
shaoqx
closed
2 years ago
0
A bug in the slurm system on ACCRE
#57
shaoqx
closed
2 years ago
1
Change the way to configure resources when use job manager
#56
shaoqx
closed
2 years ago
0
Shaoqz/feature qm md with cluster job manager
#55
shaoqx
closed
2 years ago
0
Shaoqz/feature job manager
#54
shaoqx
closed
2 years ago
0
Update: support WT in MutaFlag
#53
shaoqx
closed
2 years ago
1
Common questions for some specfic functions
#52
KleinesMesser
opened
2 years ago
0
Alvinhchen/assignment settings module
#51
alvinnebula
closed
2 years ago
0
BugFix: fix PDB2FF() error writing the same file
#50
shaoqx
closed
2 years ago
2
Chrisjurich/feature new structure class
#49
chrisjurich
closed
2 years ago
0
Chrisjurich/feature new structure class
#48
chrisjurich
closed
2 years ago
0
Xinchun/random_generate_mut
#47
Xinchunran
closed
2 years ago
1
Realize Job Queue Management
#46
shaoqx
closed
2 years ago
1
Random mutation checker
#45
Xinchunran
closed
2 years ago
1
Paul tremblmt/feature sel pos dis
#44
mtremblay0817
closed
2 years ago
1
Reecan/feature muta flag san check
#43
so-dopamine
closed
2 years ago
1
new feature: refactoring decode MutaFlag
#42
alvinnebula
closed
2 years ago
1
Alvinchen/feature decode add muta flag
#41
alvinnebula
closed
2 years ago
0
new feature: MutaFlag_san_check
#40
so-dopamine
closed
2 years ago
1
Chrisjurich/feature new structure class
#39
chrisjurich
closed
2 years ago
1
Previous
Next