complexa-target
complexa-target
Add or edit a design target in Proteina-Complexa. Targets live in three YAML files, one per complexa design pipeline:
configs/targets/targets_dict.yaml— protein binder (default pipeline)configs/targets/ligand_targets_dict.yaml— ligand binderconfigs/design_tasks/ame_dict_v2.yaml— AME / enzyme scaffolding
The complexa target CLI only manages the first two. AME tasks use an extended schema (the same core fields as ligand targets plus contig_atoms for hand-curated per-residue motif atom selections) and are file-edit-only.
Preferred path: edit the YAML directly
complexa target add is a thin wrapper around "load YAML → build dict → append a block" (see src/proteinfoundation/cli/target_manager.py:add_target_cli and append_target_to_dict). For agentic use, just edit the targets dict directly — the schema is short, the existing entries are great copy templates, and you skip 14 CLI flags / SMILES shell-escaping. Use the CLI only if you explicitly want its YAML auto-quoter or its overwrite-prompt safety.
The skill therefore presents both paths: