ccsb-scripps AutoDock-Vina issues

ccsb-scripps / AutoDock-Vina

AutoDock Vina

http://vina.scripps.edu

Apache License 2.0

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issues

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Remove duplicated calculation of coordinates.

#278 shishaochen opened 4 months ago
0
Update README for using python APIs

#277 eunos-1128 closed 4 months ago
0
Hydrated docking for ligands containing halogen atoms

#276 moabe84 closed 4 months ago
0
Flexible hydrated docking

#275 moabe84 opened 4 months ago
0
Autodock vina error ------ "killed" while running

#274 Soumyadutta03 opened 4 months ago
1
Excessive time taking for vina to run

#273 Soumyadutta03 opened 4 months ago
3
converting pdbqt files to sdf when not prepared with Meeko

#272 TommyBiomodellingAU opened 4 months ago
1
Ligand(s) was(ere) not initialized.

#271 YvetteJxy closed 5 months ago
3
error while running AutoDock Vina (batch ligand)

#270 serenafrancisco closed 5 months ago
5
Error- Insufficient memory

#269 Soumyadutta03 closed 4 months ago
3
Error while running Vina for multiple ligand docking

#268 mbilaltayyab opened 5 months ago
7
Internal error running vina

#267 jorgefriaslopez opened 5 months ago
1
Vina not producing complex structures after running

#266 AlexisGGk closed 5 months ago
8
Using autobox in a docking search

#265 rwxayheee opened 5 months ago
1
An internal error occurred in ../../../src/lib/tree.h(101)

#264 YvetteJxy closed 5 months ago
4
Valgrind reports leak in ScoringFunction

#263 envidian opened 6 months ago
0
Fix leak in Vina::m_scoring_function reported by valgrind

#262 envidian opened 6 months ago
0
Covalent Docking Broken

#261 gorrie06 closed 6 months ago
7
an error with pip install vina

#260 tomlongcool opened 6 months ago
4
problems in docking with zinc metalloproteins

#259 Liuxxxxxxy opened 6 months ago
2
Unable to reproduce hydrated docking results. dry.py not removing water molecules.

#258 enjamamulhoq opened 7 months ago
1
How to add H-bond directionality in Vina?

#257 rongfengzou opened 7 months ago
1
Running without receptor

#256 ale94mleon opened 7 months ago
1
Request for support for python 3.10 and 3.11

#255 shreyasvinaya opened 7 months ago
3
Issue with using ad4 ff with python

#254 kmorisa opened 7 months ago
25
Unused Variable vdw_rij

#253 CoryKornowicz opened 7 months ago
0
grid configuration

#252 leticrisassis opened 8 months ago
4
How to generate Vina forcefield grid space?

#251 maximilianpress closed 8 months ago
3
"ERROR: Cannot specify both receptor and affinity maps at the same time"

#250 maximilianpress closed 8 months ago
2
Vina force field

#249 mirjr opened 8 months ago
3
Hydrated docking

#248 mirjr closed 8 months ago
2
Fail when installing vina from pypi.org

#247 BuiQuocDung1991 opened 9 months ago
0
Vina_map size

#246 Dadiao-shuai opened 9 months ago
7
Issue Installing Vina

#245 zlsess17 opened 9 months ago
1
Make include guards unique

#244 elfring opened 9 months ago
4
How to set vina score to dock complex with metals?

#243 Dadiao-shuai opened 9 months ago
5
The ligand is outside the grid box.

#242 Dadiao-shuai opened 9 months ago
5
ADFR Fail to generate PDBQT for a protein.pdb

#241 Kerro-junior opened 9 months ago
5
Torsional entropies for the Vina scoring function

#240 rwxayheee closed 9 months ago
5
check for ARM64 boost libraries

#239 jmcclare opened 9 months ago
0
How can I calculate RMSD in hydrated Vina?

#238 ariadnallop opened 10 months ago
1
Update github actions' versions

#237 emiliofernandes opened 10 months ago
0
compatibility boost >= 1.83

#236 jalegido closed 1 month ago
2
Autodock 4 docking automation script

#235 apaydinemre closed 8 months ago
4
Some confusion about how releases are made

#234 Metaphorme closed 10 months ago
5
Batch mode with vinardo scoring function

#233 HaiLunP closed 10 months ago
2
different score results from different no_of_poses parameter setting

#232 jaehongshin opened 10 months ago
7
different score values between score() vs energies() after docking

#231 jaehongshin closed 10 months ago
3
Unable to install autodock

#230 Lancespace opened 11 months ago
5
Procedure of treating Fe2+ Ion

#229 biotechjs closed 11 months ago
4

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