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

Covalently bound ligands with no CCD #190

Open

fzuccotto opened this issue Feb 20, 2025 · 1 comment

fzuccotto commented Feb 20, 2025

Hi - is it possible to model covalently bound ligands that are not present in the CCD?
Thanks

benf549 commented Feb 20, 2025

It's a little hacky, but check out this notebook:

https://github.com/benf549/boltz-generalized-covalent-modification

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment