ccsb-scripps/AutoDock-Vina

Issues

• Sequentially dock two molecules vs multi-ligand docking

  #341 opened 2 months ago by andrew0901
  1

• Randomize ligand conformation - results include starting pose

  #336 opened 2 months ago by and-tos
  3

• Covalent docking of Inhibitors to crystal

  #335 opened 2 months ago by Hariharan-Annadurai-bit
  3

• Logic setting for simultaneous docking of multiple ligands

  #334 opened 2 months ago by Tang-Rich
  1

• unknown option protein

  #333 opened 2 months ago by dnapolren
  6

• autodocking tools

  #332 opened 3 months ago by yahiamoualla
  1

• `!pip install vina` failed in Google Colab, with a Linux Python 3 Google Compute Engine backend

  #330 opened 4 months ago by rwxayheee
  8

• ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects - MacOSx

  #331 opened 3 months ago by gurveershienh
  1

• ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects

  #329 opened 4 months ago by Super-dong94
  13

• Zn docking-Chelation issue

  #324 opened 4 months ago by Bosri-Rabeya
  9

• What kind of file is the Linux download?

  #328 opened 4 months ago by johnwkeller54
  2

• How to perform docking of drugs that contain metal ions?

  #322 opened 5 months ago by Aochzh
  0

• Multiple-ligand docking pose PDBQT cannot be (re)scored

  #327 opened 5 months ago by rwxayheee
  1

• Discrepancy Between Multi-Ligand Docking Score and Summed Individual Scores in AutoVina

  #326 opened 5 months ago by Squirrelity
  6

• Virtual screening using Python bindings

  #320 opened 5 months ago by eunos-1128
  22

• An internal error occurred in ../../../src/lib/tree.h(101)

  #325 opened 5 months ago by WesleyAC
  3

• REMARK VINA RESULT not in PDBQT output of `--local_only` or `--score_only` type of calculations

  #323 opened 5 months ago by rwxayheee
  0

• Method to capture receptor structure state after flexible docking

  #319 opened 5 months ago by eunos-1128
  7

• Autodock Vina Scoring Functions

  #321 opened 5 months ago by NeginManshour
  3

• Charged ligands and receptors

  #317 opened 5 months ago by vsheg
  2

• Error on running prepare_flexreceptor.py for flexible docking

  #316 opened 5 months ago by eunos-1128
  8

• FLexible Autodock

  #318 opened 5 months ago by Kapalisuri
  1

• Problem in generation of some map files during flexible autodock docking.

  #315 opened 5 months ago by aditya-jugade
  3

• Differences between `*_rigid.pdbqt` and `*.pdbqt` files of receptors

  #313 opened 5 months ago by eunos-1128
  2

• Flexible docking tutorial : no HD map file after autogrid4

  #312 opened 5 months ago by Kapalisuri
  1

• Issue : An internal error occurred in ../../../src/lib/tree.h(101)

  #314 opened 5 months ago by Yannlefrancois
  3

• Is AutoDock-Vina applicable to peptides?

  #302 opened 6 months ago by SoodabehGhaffari
  3

• H-bond term

  #311 opened 6 months ago by h4RkhW8t53e
  2

• I am getting this error while doing flexible autodock docking

  #310 opened 6 months ago by aditya-jugade
  1

• Autogrid4 Unknown receptor type:

  #308 opened 6 months ago by HeheHahaHoHoHo
  1

• Vina runtime error: The ligand is outside the grid box

  #309 opened 6 months ago by srilekha1993
  1

• Problems with Binary installation

  #307 opened 6 months ago by HeheHahaHoHoHo
  1

• rdkit.six not found

  #306 opened 6 months ago by HeheHahaHoHoHo
  1

• PyPi suggests windwos compatibility of python bindings.

  #305 opened 6 months ago by FlyinTeller
  0

• Docking to zinc atoms in a non-3,1 tetrahedral conformation

  #303 opened 6 months ago by Klaborator
  4

• Flexible docking of Autodock using vina

  #292 opened 7 months ago by Kapalisuri
  7

• Vina flexible docking

  #304 opened 6 months ago by aditya-jugade
  4

• Weird protein split in flexible docking

  #301 opened 7 months ago by farmaceut
  7

• Enormous free energy of binding

  #300 opened 7 months ago by farmaceut
  6

• Autogrid4 raise error "dyld: Library not loaded:"

  #299 opened 7 months ago by farmaceut
  8

• Problems with Ruthenium

  #291 opened 7 months ago by sdevita7
  2

• An internal error occurred in ../../../src/lib/parse_pdbqt.cpp(69).

  #298 opened 7 months ago by jianwen350
  3

• Python bindings vina v.s vina executable

  #295 opened 7 months ago by rytakahashi
  13

• Release v1.2.5

  #290 opened 7 months ago by alchymy
  13

• Autogrid4 Atom Type Error with Large Ligand Database

  #297 opened 7 months ago by R-Stefano
  6

• Can't install 1.2.5 on Win11

  #294 opened 7 months ago by Evert-Homan
  2

• Details on scoring function terms

  #296 opened 7 months ago by AnjaConev
  3

• How can I add 2+ to metal atoms using `prepare_receptor`?

  #287 opened 7 months ago by eunos-1128
  9

• How to use vina for small molecule and small molecule docking

  #289 opened 8 months ago by yaqiuu
  1

• Can Autodock Vina perform Constraint Docking?

  #288 opened 8 months ago by shienliu
  2