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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Question about the Rii in AD4.1_bound.dat

#346 Aochzh closed 6 days ago
6
Suggestions to compile vina with AMD AOCC

#345 xavgit opened 1 week ago
9
Some updates to documentation

#344 rwxayheee opened 2 weeks ago
0
May I add the executables for mac_aarch64 to release

#343 rwxayheee closed 1 week ago
2
Replace non-bonded interactions of specified atom pairs

#342 YGuangye closed 1 week ago
4
Sequentially dock two molecules vs multi-ligand docking

#341 andrew0901 opened 2 weeks ago
3
Upgrade actions/download-artifact to v4; Explicitly Check PEP 440 Compliance; Fix Workflows, Makefiles, and Boost Usage

#340 rwxayheee closed 3 weeks ago
1
Test Git Actions workflows triggered by PR

#339 rwxayheee closed 3 weeks ago
0
Format Version of Non-Tagged Commit

#338 rwxayheee closed 3 weeks ago
1
Bump actions/download-artifact from 2 to 4.1.7 in /.github/workflows

#337 dependabot[bot] closed 3 weeks ago
2
Randomize ligand conformation - results include starting pose

#336 and-tos opened 1 month ago
3
Covalent docking of Inhibitors to crystal

#335 Hariharan-Annadurai-bit opened 1 month ago
3
Logic setting for simultaneous docking of multiple ligands

#334 Tang-Rich opened 1 month ago
1
unknown option protein

#333 dnapolren closed 1 month ago
6
autodocking tools

#332 yahiamoualla opened 1 month ago
1
ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects - MacOSx

#331 gurveershienh closed 2 months ago
1
`!pip install vina` failed in Google Colab, with a Linux Python 3 Google Compute Engine backend

#330 rwxayheee opened 2 months ago
8
ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects

#329 Super-dong94 opened 2 months ago
13
What kind of file is the Linux download?

#328 johnwkeller54 closed 2 months ago
2
Multiple-ligand docking pose PDBQT cannot be (re)scored

#327 rwxayheee opened 3 months ago
1
Discrepancy Between Multi-Ligand Docking Score and Summed Individual Scores in AutoVina

#326 Squirrelity opened 3 months ago
6
An internal error occurred in ../../../src/lib/tree.h(101)

#325 WesleyAC opened 3 months ago
3
Zn docking-Chelation issue

#324 Bosri-Rabeya closed 2 months ago
9
REMARK VINA RESULT not in PDBQT output of `--local_only` or `--score_only` type of calculations

#323 rwxayheee opened 3 months ago
0
How to perform docking of drugs that contain metal ions?

#322 Aochzh opened 3 months ago
0
Autodock Vina Scoring Functions

#321 NeginManshour opened 3 months ago
3
Virtual screening using Python bindings

#320 eunos-1128 closed 3 months ago
22
Method to capture receptor structure state after flexible docking

#319 eunos-1128 opened 3 months ago
7
FLexible Autodock

#318 Kapalisuri opened 3 months ago
1
Charged ligands and receptors

#317 vsheg closed 3 months ago
2
Error on running prepare_flexreceptor.py for flexible docking

#316 eunos-1128 closed 3 months ago
8
Problem in generation of some map files during flexible autodock docking.

#315 aditya-jugade opened 4 months ago
3
Issue : An internal error occurred in ../../../src/lib/tree.h(101)

#314 Yannlefrancois opened 4 months ago
3
Differences between `*_rigid.pdbqt` and `*.pdbqt` files of receptors

#313 eunos-1128 closed 4 months ago
2
Flexible docking tutorial : no HD map file after autogrid4

#312 Kapalisuri opened 4 months ago
1
H-bond term

#311 h4RkhW8t53e opened 4 months ago
2
I am getting this error while doing flexible autodock docking

#310 aditya-jugade opened 5 months ago
1
Vina runtime error: The ligand is outside the grid box

#309 srilekha1993 opened 5 months ago
1
Autogrid4 Unknown receptor type:

#308 HeheHahaHoHoHo opened 5 months ago
1
Problems with Binary installation

#307 HeheHahaHoHoHo closed 5 months ago
1
rdkit.six not found

#306 HeheHahaHoHoHo opened 5 months ago
1
PyPi suggests windwos compatibility of python bindings.

#305 FlyinTeller opened 5 months ago
0
Vina flexible docking

#304 aditya-jugade opened 5 months ago
4
Docking to zinc atoms in a non-3,1 tetrahedral conformation

#303 Klaborator closed 5 months ago
4
Is AutoDock-Vina applicable to peptides?

#302 SoodabehGhaffari opened 5 months ago
3
Weird protein split in flexible docking

#301 farmaceut opened 5 months ago
7
Enormous free energy of binding

#300 farmaceut closed 5 months ago
6
Autogrid4 raise error "dyld: Library not loaded:"

#299 farmaceut closed 5 months ago
8
An internal error occurred in ../../../src/lib/parse_pdbqt.cpp(69).

#298 jianwen350 opened 6 months ago
3
Autogrid4 Atom Type Error with Large Ligand Database

#297 R-Stefano opened 6 months ago
6