Skip to content

Issues: ccsb-scripps/AutoDock-Vina

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

118 Open 188 Closed
118 Open 188 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Vina 1.2.5 Results Not Fully Displayed in PyMOL_3.0
#370 opened Dec 20, 2024 by Kephas24
2
Finding input for compute_vina_maps given a reference ligand question Further information is requested
#369 opened Dec 17, 2024 by and-tos
2
Support for Mg²⁺ with Octahedral Coordination in AutoDock4Zn
#368 opened Dec 12, 2024 by n-vivek
2
add Windows --batch example with deliberate wildcard expansion documentation Improvements or additions to documentation
#367 opened Dec 11, 2024 by diogomart
Clean up hydrated docking scripts
#365 opened Dec 5, 2024 by rwxayheee
2
AD4 scoring weights not passed through Python
#363 opened Nov 29, 2024 by diogomart
Wrong intramolecular energy in pose rescoring
#362 opened Nov 27, 2024 by anaome
4
Docking error code
#361 opened Nov 15, 2024 by emilytheis1
7
Vina Docking speed using binary
#359 opened Nov 8, 2024 by aashuph16221
4
Question About Binding Free Energy in Multi-Ligand Docking with Vina
#355 opened Oct 25, 2024 by Liekkas-Li
1
Installing Windows version (vina_1,2.5_win) with a glitch
#352 opened Oct 23, 2024 by fahoffmannsarda
1
Spacing function in Autodock Vina
#351 opened Oct 17, 2024 by adilsaeed45
2
Is there any command for installing conda in linux system
#350 opened Oct 16, 2024 by WW-web-ctrl
3
Can Vina 1.2.5 be used to screen for synergistically/antagonistically bound multiligand
#348 opened Oct 14, 2024 by Tang-Rich
1
what is AutoDock Vina 36dd023-mod ?
#347 opened Oct 7, 2024 by Yannlefrancois
@rwxayheee
3
Suggestions to compile vina with AMD AOCC
#345 opened Sep 24, 2024 by xavgit
10
Sequentially dock two molecules vs multi-ligand docking
#341 opened Sep 13, 2024 by andrew0901
3
Covalent docking of Inhibitors to crystal
#335 opened Aug 30, 2024 by Hariharan-Annadurai-bit
3
Logic setting for simultaneous docking of multiple ligands
#334 opened Aug 29, 2024 by Tang-Rich
1
autodocking tools
#332 opened Aug 20, 2024 by yahiamoualla
1
!pip install vina failed in Google Colab, with a Linux Python 3 Google Compute Engine backend
#330 opened Jul 18, 2024 by rwxayheee
8
ERROR: Could not build wheels for vina, which is required to install pyproject.toml-based projects
#329 opened Jul 13, 2024 by Super-dong94
13
Multiple-ligand docking pose PDBQT cannot be (re)scored
#327 opened Jun 20, 2024 by rwxayheee
1
Discrepancy Between Multi-Ligand Docking Score and Summed Individual Scores in AutoVina
#326 opened Jun 20, 2024 by Squirrelity
6
An internal error occurred in ../../../src/lib/tree.h(101)
#325 opened Jun 17, 2024 by WesleyAC
3
ProTip! no:milestone will show everything without a milestone.