Skip to content
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.

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

autodocking tools #332

Open
yahiamoualla opened this issue Aug 20, 2024 · 1 comment
Open

autodocking tools #332

yahiamoualla opened this issue Aug 20, 2024 · 1 comment

Comments

@yahiamoualla
Copy link

Hello !
I am trying to run autodock vina, I have this txt file:

Define the receptor and ligand files

receptor = ab.pdbqt
ligand = antigen.pdbqt

Output file for docking results

out= docking.pdbqt

Define the center of the search space

center_x = 35.739
center_y = 26.403
center_z = 12.114

Define the size of the search space (in Angstroms)

size_x = 30
size_y = 30
size_z = 30

Log file for Vina's output

log= log.txt

But I have this error:
Error: could not open "antigen.pdbqt" for reading.
Knowing that the pdbqt files I have it from amg autodock tool.

@diogomart
Copy link
Member

Hello, maybe it's in a different folder?

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants