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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Docking error code

#361 emilytheis1 opened 6 days ago
7
fixup links in doc

#360 rwxayheee closed 1 week ago
0
Vina Docking speed using binary

#359 aashuph16221 opened 1 week ago
4
vina

#358 aashuph16221 closed 1 week ago
0
Adjust setup.py to work on newer M3 Macs.

#357 atillack closed 2 weeks ago
1
added libboost to source code install

#356 maylinnp closed 3 weeks ago
0
Question About Binding Free Energy in Multi-Ligand Docking with Vina

#355 Liekkas-Li opened 3 weeks ago
1
Update doc for meeko v0.6.0

#354 rwxayheee closed 1 week ago
0
Update docs for meeko v0.6 which includes receptor prep

#353 diogomart opened 4 weeks ago
1
Installing Windows version (vina_1,2.5_win) with a glitch

#352 fahoffmannsarda opened 1 month ago
1
Spacing function in Autodock Vina

#351 adilsaeed45 opened 1 month ago
2
Is there any command for installing conda in linux system

#350 WW-web-ctrl opened 1 month ago
3
Questions about calculating intramolecular energy for a ligand

#349 tmcgrath325 closed 1 month ago
3
Can Vina 1.2.5 be used to screen for synergistically/antagonistically bound multiligand

#348 Tang-Rich opened 1 month ago
1
what is AutoDock Vina 36dd023-mod ?

#347 Yannlefrancois opened 1 month ago
3
Question about the Rii in AD4.1_bound.dat

#346 Aochzh closed 1 month ago
6
Suggestions to compile vina with AMD AOCC

#345 xavgit opened 1 month ago
10
Some updates to documentation

#344 rwxayheee closed 1 month ago
1
May I add the executables for mac_aarch64 to release

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

#342 YGuangye closed 2 months ago
4
Sequentially dock two molecules vs multi-ligand docking

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

#340 rwxayheee closed 2 months ago
1
Test Git Actions workflows triggered by PR

#339 rwxayheee closed 2 months ago
0
Format Version of Non-Tagged Commit

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

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

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

#335 Hariharan-Annadurai-bit opened 2 months ago
3
Logic setting for simultaneous docking of multiple ligands

#334 Tang-Rich opened 2 months ago
1
unknown option protein

#333 dnapolren closed 2 months ago
6
autodocking tools

#332 yahiamoualla opened 3 months ago
1
ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects - MacOSx

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

#330 rwxayheee opened 4 months ago
8
ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects

#329 Super-dong94 opened 4 months ago
13
What kind of file is the Linux download?

#328 johnwkeller54 closed 4 months ago
2
Multiple-ligand docking pose PDBQT cannot be (re)scored

#327 rwxayheee opened 5 months ago
1
Discrepancy Between Multi-Ligand Docking Score and Summed Individual Scores in AutoVina

#326 Squirrelity opened 5 months ago
6
An internal error occurred in ../../../src/lib/tree.h(101)

#325 WesleyAC opened 5 months ago
3
Zn docking-Chelation issue

#324 Bosri-Rabeya closed 4 months ago
9
REMARK VINA RESULT not in PDBQT output of `--local_only` or `--score_only` type of calculations

#323 rwxayheee opened 5 months ago
0
How to perform docking of drugs that contain metal ions?

#322 Aochzh opened 5 months ago
0
Autodock Vina Scoring Functions

#321 NeginManshour opened 5 months ago
3
Virtual screening using Python bindings

#320 eunos-1128 closed 5 months ago
22
Method to capture the entire receptor structure state after flexible docking

#319 eunos-1128 closed 2 weeks ago
21
FLexible Autodock

#318 Kapalisuri opened 5 months ago
1
Charged ligands and receptors

#317 vsheg closed 5 months ago
2
Error on running prepare_flexreceptor.py for flexible docking

#316 eunos-1128 closed 5 months ago
8
Problem in generation of some map files during flexible autodock docking.

#315 aditya-jugade opened 6 months ago
3
Issue : An internal error occurred in ../../../src/lib/tree.h(101)

#314 Yannlefrancois opened 6 months ago
3
Differences between `*_rigid.pdbqt` and `*.pdbqt` files of receptors

#313 eunos-1128 closed 6 months ago
2
Flexible docking tutorial : no HD map file after autogrid4

#312 Kapalisuri opened 6 months ago
1