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

Diffusion of protein binder including a ligand #24

Open
BJHardy opened this issue Aug 22, 2024 · 1 comment
Open

Diffusion of protein binder including a ligand #24

BJHardy opened this issue Aug 22, 2024 · 1 comment

Comments

@BJHardy
Copy link

BJHardy commented Aug 22, 2024

Thank you for this incredible software, and for making it freely available!

I would like to know if it is possible to diffuse protein binders using RFdiffusion all-atom, specifically where one or both of the proteins includes ligands.

I have tried this but get an error saying "AssertionError: contig_list with >1 element not curently supported: ['A1-A112/0', '50-100,B249,50-100/0']", making me think this is not possible.

Could you please confirm whether this function is indeed to available, or if there is another way to perform this kind of design?

@LiorZ
Copy link

LiorZ commented Nov 6, 2024

Try and rename the ligand on both structure to have the same name (e.g. "LIG") inside the PDB. When both have the same name, you can use it in the "inference.ligand=" command line parameter

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