issues
search
ChemBioHTP
/
EnzyHTP
EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
https://enzyhtp-doc.readthedocs.io
Other
8
stars
1
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Some clerical errors in the README.md file.
#134
SwordJack
closed
8 months ago
1
Implementation of Ligand I/O via .mol2 file
#133
chrisjurich
closed
8 months ago
1
Make a google form for ARMer plugins
#132
shaoqx
opened
9 months ago
1
Geometry Refactor PR 1
#131
shaoqx
closed
9 months ago
1
Add bond order support in Atom().connect
#130
shaoqx
opened
9 months ago
0
Address the remaining design comments in EnzyRCD PR 1
#129
shaoqx
opened
9 months ago
3
Reactive Docking PR 1
#128
chrisjurich
closed
9 months ago
3
Bugfix: fix the problem in issue #126
#127
shaoqx
closed
9 months ago
0
Solve the bug related to logging
#126
shaoqx
closed
10 months ago
5
Structure diversity checker
#125
shaoqx
opened
10 months ago
1
Support NCAA in protonate_stru
#124
shaoqx
opened
10 months ago
1
Update license.md
#123
shaoqx
closed
11 months ago
0
Add a check for mutation space
#122
shaoqx
opened
11 months ago
1
The 2nd release of the old EnzyHTP
#121
shaoqx
closed
11 months ago
0
Fix PyMOL Saving Issues
#120
seb124
closed
10 months ago
1
Shaoqz/refactor_amber_interface incomplete
#119
shaoqx
closed
11 months ago
0
Fix the messed up atom order from PyMol
#118
shaoqx
opened
12 months ago
2
Atom naming consistency
#117
shaoqx
opened
12 months ago
3
Add support for PyMOL mutation engine
#116
seb124
closed
11 months ago
5
Merging `RosettaInterface()`, updated `PyMolInterface()` and the ability to check for python modules within the `EnvironmentManager()`
#115
chrisjurich
closed
11 months ago
2
Disulfide bonds are not correctly annotated in Amber
#114
shaoqx
closed
1 year ago
2
Update residue.py
#113
chrisjurich
closed
1 year ago
0
Shaoqz/refactor mutate stru
#112
shaoqx
closed
1 year ago
2
Gather designs in different dir_gen.py
#111
shaoqx
opened
1 year ago
0
The topology error of structures
#110
shaoqx
opened
1 year ago
1
Adding Protonation with MOE
#109
chrisjurich
closed
1 year ago
0
Need to support pairwise alignment
#108
shaoqx
opened
1 year ago
1
Shaoqz/refactor mutation api
#107
shaoqx
closed
1 year ago
1
Shaoqz/fix pr 105
#106
shaoqx
closed
1 year ago
0
Prepping for a develop_refactor beta release
#105
chrisjurich
closed
1 year ago
0
We need to find a way to deal with re-run
#104
shaoqx
opened
1 year ago
0
AmberInterface Updates and Electric Field implementation-
#103
chrisjurich
closed
1 year ago
1
Useful tool to solve the stoichiometry problem
#102
shaoqx
opened
1 year ago
0
Protonation function input error
#101
Xinchunran
opened
1 year ago
0
Add PDB2PQR version check
#100
shaoqx
opened
1 year ago
0
PyBel inconsistant output
#99
shaoqx
closed
1 year ago
1
Structure parser chain ID issue
#98
KleinesMesser
opened
1 year ago
1
Add mutation calculation functions in the enzy_htp/mutation module
#97
shaoqx
opened
1 year ago
1
Make sure `autoimage` is in new sample protocol
#96
shaoqx
opened
1 year ago
0
Existing Amber nc files mess up the trajectory result
#95
shaoqx
opened
1 year ago
0
add better support for nmr constrain in Amber interface
#94
shaoqx
opened
1 year ago
0
Change default setting for minimization
#93
shaoqx
opened
1 year ago
0
Check current Amber interface
#92
shaoqx
opened
1 year ago
0
Adding to `dev-tools/`
#91
chrisjurich
closed
1 year ago
0
Quick Fix
#90
chrisjurich
closed
1 year ago
0
Chrisjurich/remove chem db
#89
chrisjurich
closed
1 year ago
0
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
Previous
Next