ccsb-scripps AutoDock-Vina issues

ccsb-scripps / AutoDock-Vina

AutoDock Vina

http://vina.scripps.edu

Apache License 2.0

559 stars 199 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

What kind of file is the Linux download?

#328 johnwkeller54 opened 12 hours ago
2
Multiple-ligand docking pose PDBQT cannot be (re)scored

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

#326 Squirrelity opened 1 week ago
6
An internal error occurred in ../../../src/lib/tree.h(101)

#325 WesleyAC opened 1 week ago
3
Zn docking-Chelation issue

#324 Bosri-Rabeya opened 2 weeks ago
8
REMARK VINA RESULT not in PDBQT output of `--local_only` or `--score_only` type of calculations

#323 rwxayheee opened 2 weeks ago
0
How to perform docking of drugs that contain metal ions?

#322 Aochzh opened 2 weeks ago
0
Autodock Vina Scoring Functions

#321 NeginManshour opened 2 weeks ago
3
Virtual screening using Python bindings

#320 eunos-1128 closed 1 week ago
22
Method to capture receptor structure state after flexible docking

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

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

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

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

#315 aditya-jugade opened 1 month ago
3
Issue : An internal error occurred in ../../../src/lib/tree.h(101)

#314 Yannlefrancois opened 1 month ago
3
Differences between `*_rigid.pdbqt` and `*.pdbqt` files of receptors

#313 eunos-1128 closed 1 month ago
2
Flexible docking tutorial : no HD map file after autogrid4

#312 Kapalisuri opened 1 month ago
1
H-bond term

#311 h4RkhW8t53e opened 1 month ago
2
I am getting this error while doing flexible autodock docking

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

#309 srilekha1993 opened 1 month ago
1
Autogrid4 Unknown receptor type:

#308 HeheHahaHoHoHo opened 1 month ago
1
Problems with Binary installation

#307 HeheHahaHoHoHo closed 1 month ago
1
rdkit.six not found

#306 HeheHahaHoHoHo opened 2 months ago
1
PyPi suggests windwos compatibility of python bindings.

#305 FlyinTeller opened 2 months ago
0
Vina flexible docking

#304 aditya-jugade opened 2 months ago
4
Docking to zinc atoms in a non-3,1 tetrahedral conformation

#303 Klaborator closed 2 months ago
4
Is AutoDock-Vina applicable to peptides?

#302 SoodabehGhaffari opened 2 months ago
3
Weird protein split in flexible docking

#301 farmaceut opened 2 months ago
7
Enormous free energy of binding

#300 farmaceut closed 2 months ago
6
Autogrid4 raise error "dyld: Library not loaded:"

#299 farmaceut closed 2 months ago
8
An internal error occurred in ../../../src/lib/parse_pdbqt.cpp(69).

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

#297 R-Stefano opened 3 months ago
6
Details on scoring function terms

#296 AnjaConev opened 3 months ago
3
Python bindings vina v.s vina executable

#295 rytakahashi closed 2 months ago
13
Can't install 1.2.5 on Win11

#294 Evert-Homan closed 3 months ago
2
Large protein optimizations

#293 jacktday opened 3 months ago
0
Flexible docking of Autodock using vina

#292 Kapalisuri opened 3 months ago
7
Problems with Ruthenium

#291 sdevita7 closed 2 months ago
2
Release v1.2.5

#290 alchymy opened 3 months ago
13
How to use vina for small molecule and small molecule docking

#289 yaqiuu opened 3 months ago
1
Can Autodock Vina perform Constraint Docking?

#288 shienliu closed 3 months ago
2
How can I add 2+ to metal atoms using `prepare_receptor`?

#287 eunos-1128 closed 3 months ago
9
Charges in Vina

#286 Anujkumarp closed 3 months ago
1
Clarification on hydrophobic interaction contribution

#285 toby-aqemia closed 3 months ago
2
Running Autodock Vina with batch Ligand occur error basic_string::_M_replace_aux

#284 oceanzyl opened 4 months ago
3
prepare_receptor causes `ValueError: Could not find atomic number for Hn Hn`

#283 eunos-1128 closed 3 weeks ago
1
What is the difference between ADFR and flexible docking using vina?

#282 eunos-1128 closed 3 weeks ago
2
Fix docstrings to include `vinardo` for python bindings

#281 eunos-1128 opened 4 months ago
0
keep key amino acid residues when docking

#280 TVect opened 4 months ago
2
Tips for docking performance

#279 TVect closed 4 months ago
1