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ccsb-scripps
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AutoDock-Vina
AutoDock Vina
http://vina.scripps.edu
Apache License 2.0
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ModuleNotFoundError: No module named 'MolKit'
#228
JeongSooNa
closed
10 months ago
1
Problems compiling in MacBook Pro M2 with split
#227
mixcoha
opened
11 months ago
0
Vina run error
#226
huanggh0321
opened
12 months ago
0
Vina Internal Error
#225
Virzuo
opened
1 year ago
1
How can ligand pdbqt input files to AutoDock 4 be batched?
#224
YoavShamir5
opened
1 year ago
1
Conda
#223
andersx
closed
1 year ago
2
Python build updates
#222
sconstable
closed
1 year ago
1
atom type G after ligand preparation appears in .pdbqt
#221
SoodabehGhaffari
opened
1 year ago
5
Can Vina be used to do small molecules alignment?
#220
XinheG
opened
1 year ago
1
Document that macrocycles have higher (worse) scores because of more rotatable bonds
#219
diogomart
opened
1 year ago
0
Different values for affinity in vina1.2.3 and vina1.2.5 depending on the use of --rigid_macrocycles foe some molecules
#218
xavgit
closed
1 year ago
7
docking results from AutoDock Vina are not aligned with the experimental structure
#217
SoodabehGhaffari
opened
1 year ago
5
Docking with Metal Ions
#216
KSUN63
closed
1 year ago
2
preparing receptor with coenzyme
#215
SoodabehGhaffari
opened
1 year ago
2
revert margin to positive, rescore immediately after refining
#214
diogomart
closed
1 year ago
2
redirecting log file in the python script
#213
SoodabehGhaffari
closed
1 year ago
2
Affinity map for atom type O_A is not present.
#212
SoodabehGhaffari
opened
1 year ago
11
[python] Autodock Vina not always sorting scores correctly
#211
Sjb4243
closed
1 year ago
6
How to get the log file in the 1.2.4 version ?
#210
Victini1999
opened
1 year ago
1
difference between basic docking and macrocycles in terms of implementation
#209
SoodabehGhaffari
opened
1 year ago
2
update hard-coded strings v1.2.3 -> v1.2.4
#208
diogomart
closed
1 year ago
0
How to DIY my own CNN scoring function model into this Vina python-binding?
#207
JonasLi-19
opened
1 year ago
1
unable to locate mk_prepare_ligand.py
#206
SoodabehGhaffari
closed
1 year ago
1
How to process docking with two Cu ions?
#205
pharm-dacnhan
opened
1 year ago
3
Flexible Vina Docking for Cyclodextrins
#204
jaketanderson
opened
1 year ago
2
How to generate single log file for all output files to analyse results after docking in Autodock 1.2.3
#203
SSDshant
closed
1 year ago
2
Improvements to dry script
#202
domiko96
closed
1 year ago
2
prepare_gpf.py generates incorrect gridcenter and the affinity from docking result is positive
#201
Forever8341
closed
1 year ago
4
Bug in intramolecular and or unbound energy
#200
diogomart
closed
1 year ago
4
Batch mode cannot be executed from config file
#199
DaniDelHoyo
opened
1 year ago
0
Update vina.py
#198
iaggocapitanio1
closed
1 year ago
1
Error Conversion array in new numpy version
#196
iaggocapitanio1
closed
1 year ago
1
Vina environment installation error in Conda "Invalid specifier: '>=3.5.*'"
#195
dnago4
closed
1 year ago
3
Error during pip installation
#194
ValeryPolyakov
closed
1 year ago
8
Multiple ligands docking Error
#193
IbrahimHepishy
closed
1 year ago
1
IndexError when using dry.py to remove the water molecules
#192
TANGLi83-star
closed
1 year ago
2
Which command line can work as the dockedtopdbq in Autodock3
#191
DooYal
closed
1 year ago
1
Issue to run docking in batch process
#190
Gufybilai
opened
1 year ago
2
AttributeError: module 'numpy' has no attribute 'int'.
#189
gmseabra
closed
1 year ago
1
Negative charge not being conserved in Auto Dock Vina
#188
kjk462
closed
1 year ago
1
Docking score changed after updating open babel.
#187
ngran1
opened
1 year ago
2
Vinardo Scoring Function
#186
GasparPinto
closed
1 year ago
4
Issue with pip install
#185
rdeykin
closed
1 year ago
2
Can't find vina_split
#184
Thanh-An-Pham
closed
1 year ago
3
"IndexError: list index out of range" for flexible docking with beta-cyclodextrin
#183
darekb94
opened
1 year ago
1
An IndexError occurred after using dry.py in hydrated docking
#182
ChemBioMax
closed
1 year ago
2
cannot run autogrid4 on mac m1
#181
TANGLi83-star
opened
1 year ago
1
Multi-ligand docking error according to the manual
#180
jincanzuitongfeng
closed
1 year ago
1
format flexible docking
#179
AngelPineiro
closed
1 year ago
9
Correct ligand-receptor energy when no_refine is enabled.
#178
shishaochen
closed
1 year ago
1
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