Inverse-fold a backbone with ligand, nucleic-acid, and metal context using LigandMPNN (Dauparas et al. 2023, github.com/dauparas/LigandMPNN). Reach for this skill to redesign the residues lining a binding pocket around a bound small molecule or cofactor, to design metal-coordinating sites where the geometry must be respected, or to get threaded designed-sequence PDBs out of any MPNN run.
How to install ligandmpnn?
xuzhougeng/wisp-science/ligandmpnn
$npx -y skills add xuzhougeng/wisp-science --skill ligandmpnnInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/xuzhougeng/wisp-science" --skill "xuzhougeng/wisp-science/ligandmpnn"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/xuzhougeng/wisp-science" that are relevant to the current task. Run `npx skills add "https://github.com/xuzhougeng/wisp-science"` and select the relevant skills, then follow their instructions.
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