AutoDock-Vina
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ccsb-scripps
AutoDock Vina
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I tested with different "no_of_poses" parameter values, then vina scores turn different values quite a lot (e.g. ~2kcal/mol) Are there any other randomness or heuristic things during docking besides the...
We are doing a project related to tyrosine kinase protein, in which we need process the docking step with 2 ions Copper instead of zinc. Thus, we need to modify...
I finally compiled vina on my Mac with ARM64 and chip M2. I've just done three modifications in split.ccp file. I hope it will help you /* Copyright (c) 2006-2010,...
[TM158.txt](https://github.com/ccsb-scripps/AutoDock-Vina/files/12000077/TM158.txt) internal error occurred in ../../../src/lib/tree.h(101) please contact the author, Dr. oleg Trott ,sothat this problem can be resolved. The reproducibility of theerror may be vital, so please remember to...
I was docking a library of approximately 150k ligands with a receptor molecule. The perl script was the one I use generally for my docking purposes. I have attached the...
Hi, I am using AutoDock 4 for covalent docking. I wonder - is it possible to provide as input a pdbqt file with multiple ligands included, and later parse the...
Hello, I have done docking between a ligand and a receptor using AutoDock vina. In the final output (_out.pdbqt), I realized there is an atom G (which does not exist...
I am trying to use Vina to align ligands, is it possible to do this? I was told it can do alignment really fast, but I didn't find the way.
See #218
