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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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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
Update model conf before calculating its clash_penalty.
#177
shishaochen
closed
1 year ago
1
pip install Fails In Python 3.10
#176
jmcclare
closed
1 year ago
11
multiple conformations not loading on pymol
#175
adilsaeed45
closed
1 year ago
1
Patch NumPy vina.py
#174
tiffanyhuff
closed
1 year ago
2
Discrepancies between energy terms from ADFR and AutoDock Vina
#173
anaome
opened
1 year ago
1
Low energy outliers with specific seed
#172
ros-luc
closed
1 year ago
3
Boron parameters
#171
almeida85
opened
1 year ago
0
Amides in macrocycles
#170
pwging13
closed
1 year ago
1
Build with newer versions of Boost
#169
bariserkus
closed
1 year ago
0
High negative score with Vina
#168
cpayal
closed
1 year ago
2
Replace deprecated `np.int` with builtin `int`
#167
jasonyz-isolabs
closed
1 year ago
1
`np.int` not supported by numpy
#166
forrestjgq
closed
1 year ago
2
fix: fixed DeprecationWarning from pytest about `np.int`.
#165
JSLJ23
closed
1 year ago
1
Can we get a file log.txt using one of the commands in the documentation
#164
ManaasGupta
opened
1 year ago
1
Question about version of vina
#163
lh12565
opened
1 year ago
1
gauss function
#162
h-kaede
closed
1 year ago
4
Ligand name not printed in batch mode
#161
cpayal
closed
1 year ago
3
throw swig exception if vina error occurs
#160
shazj99
closed
1 year ago
3
conda install without prepare_gpf.py
#159
Lsz-20
closed
1 year ago
0
conda install without prepare_gpf.py
#158
Lsz-20
closed
1 year ago
0
Dry.py error when running an hydrated docking (Autodock)
#157
afsp22
closed
1 year ago
3
internal error occurred in ../../../src/lib/model.cpp(682)
#156
hrp1000
closed
1 year ago
3
Error in Macromolecule selection
#155
MrDizzy13
closed
1 year ago
3
Meeko ligand conversion mistake?
#154
akshat998
closed
1 year ago
3
meeko 0.4.0 fails to prepare sample ligand
#153
AenBleidd
closed
1 year ago
2
Is it possible to perform core constraint docking with AutoDock Vina?
#152
rongfengzou
closed
1 year ago
1
Ligand protonation and 3D conformer generation steps prior to PDBQT conversion
#151
SabrinaMoffit
closed
1 year ago
2
documentation fixes
#150
rczerminski-valo
closed
1 year ago
1
zinc_pseudo.py generates 0 TZ atoms
#149
rczerminski-valo
closed
1 year ago
3
prepare_receptor removes zinc (ZN) from the structure
#148
rczerminski-valo
closed
1 year ago
2
How to generate a general affinity map (or .dlg file)?
#147
ale94mleon
closed
1 year ago
4
Combined #100 and #139 plus equivalent functionality in main.cpp
#146
diogomart
closed
1 year ago
0
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