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baker-laboratory / RoseTTAFold-All-Atom

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How can I reproduce bilin binder design? #118

Closed dohyeonscottkim closed 4 months ago

dohyeonscottkim commented 5 months ago

First, thank you for making this wonderful tool! I tried out some examples you provided, and they were fantastic!

I want to fix the ligand and certain residues and use RF2AA to design the missing residues.

The RF2AA example of designing bilin binders, as shown in Fig. 4D, seems to be related, but I couldn't find the config.yaml file for this specific example. I found a config.yaml file in the Supplementary Materials, but it appears to be related to Heme binding site design.

Could you please provide examples or guidance on using the inpainting mode in RF2AA for designing bilin binders?

Thank you for your assistance!

dohyeonscottkim commented 4 months ago

I found another repository (rf_diffusion_all_atom) which has above features. Thank you!