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.

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

Jump to bottom

[BUG]: unable to run molpal in docking objective #45

Open
BlankSama opened this issue Apr 12, 2023 · 2 comments
Open

[BUG]: unable to run molpal in docking objective #45

BlankSama opened this issue Apr 12, 2023 · 2 comments
Labels
bug Something isn't working

Comments

@BlankSama
Copy link

Iam able to run molpal for lookup objective but unable to run it for docking.

i changed the objective configuration file as well but facing some bug.

i am using ubuntu 20.04

please find the attached screenshot

image

please guide me
@BlankSama BlankSama added the bug Something isn't working label Apr 12, 2023
@davide-grheco
Copy link

Probably a version mismatch with pyscreener. I believe MolPal is only compatible with pyscreener < 1.2.1.
I do agree that changing the patch version number for API changes is a bit confusing.

@kc-chong
Copy link

I faced this issue with pyscreener ==1.1.1.
Solved this by having pyscreener==1.2.2.
So it's another way round instead
pip install pyscreener==1.2.2     

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
bug Something isn't working
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
3 participants
@BlankSama @davide-grheco @kc-chong