ccsb-scripps / AutoDock-Vina

AutoDock Vina

http://vina.scripps.edu

ccsb-scripps/AutoDock-Vina Issues

Question About Binding Free Energy in Multi-Ligand Docking with Vina
Updated a month ago1
Update docs for meeko v0.6 which includes receptor prep
Updated a month ago1
Installing Windows version (vina_1,2.5_win) with a glitch
Updated a month ago1
Spacing function in Autodock Vina
Updated a month ago2
Is there any command for installing conda in linux system
Updated a month ago3
Questions about calculating intramolecular energy for a ligand
Closed a month ago3
Can Vina 1.2.5 be used to screen for synergistically/antagonistically bound multiligand
Updated a month ago1
Randomize ligand conformation - results include starting pose
Closed a month ago3
what is AutoDock Vina 36dd023-mod ?
Updated a month ago3
Suggestions to compile vina with AMD AOCC
Updated 2 months ago10
Question about the Rii in AD4.1_bound.dat
Closed 2 months ago6
May I add the executables for mac_aarch64 to release
Closed 2 months ago2
Replace non-bonded interactions of specified atom pairs
Closed 2 months ago4
Sequentially dock two molecules vs multi-ligand docking
Updated 2 months ago3
Covalent docking of Inhibitors to crystal
Updated 3 months ago3
Logic setting for simultaneous docking of multiple ligands
Updated 3 months ago1
unknown option protein
Closed 3 months ago6
autodocking tools
Updated 3 months ago1
`!pip install vina` failed in Google Colab, with a Linux Python 3 Google Compute Engine backend
Updated 3 months ago8
ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects - MacOSx
Closed 4 months ago1
ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects
Updated 4 months ago13
Zn docking-Chelation issue
Closed 4 months ago9
What kind of file is the Linux download?
Closed 4 months ago2
How to perform docking of drugs that contain metal ions?
Updated 5 months ago
Multiple-ligand docking pose PDBQT cannot be (re)scored
Updated 5 months ago1
Discrepancy Between Multi-Ligand Docking Score and Summed Individual Scores in AutoVina
Updated 5 months ago6
Virtual screening using Python bindings
Closed 5 months ago22
An internal error occurred in ../../../src/lib/tree.h(101)
Updated 5 months ago3
REMARK VINA RESULT not in PDBQT output of `--local_only` or `--score_only` type of calculations
Updated 5 months ago
Method to capture receptor structure state after flexible docking
Updated 5 months ago7
Autodock Vina Scoring Functions
Updated 5 months ago3
Charged ligands and receptors
Closed 5 months ago2
Error on running prepare_flexreceptor.py for flexible docking
Closed 6 months ago8
FLexible Autodock
Updated 6 months ago1
Problem in generation of some map files during flexible autodock docking.
Updated 6 months ago3
Differences between `*_rigid.pdbqt` and `*.pdbqt` files of receptors
Closed 6 months ago2
Flexible docking tutorial : no HD map file after autogrid4
Updated 6 months ago1
Issue : An internal error occurred in ../../../src/lib/tree.h(101)
Updated 6 months ago3
Is AutoDock-Vina applicable to peptides?
Updated 6 months ago3
H-bond term
Updated 6 months ago2
I am getting this error while doing flexible autodock docking
Updated 7 months ago1
Autogrid4 Unknown receptor type:
Updated 7 months ago1
Vina runtime error: The ligand is outside the grid box
Updated 7 months ago1
Problems with Binary installation
Closed 7 months ago1
rdkit.six not found
Updated 7 months ago1
PyPi suggests windwos compatibility of python bindings.
Updated 7 months ago
Docking to zinc atoms in a non-3,1 tetrahedral conformation
Closed 7 months ago4
Vina flexible docking
Updated 7 months ago4
Weird protein split in flexible docking
Updated 7 months ago7
Enormous free energy of binding
Closed 7 months ago6