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boltzgen/example/cyclic_against_hiv_antibody_site/9d3d.yaml
2025-10-26 20:27:38 +00:00

34 lines
582 B
YAML

entities:
- file:
path: 9d3d.cif
include:
- chain:
id: A
- chain:
id: B
- chain:
id: C
include_proximity:
- chain:
id: G
res_index: 106..118
radius: 30
binding_types:
- chain:
id: A
binding: 91,128,131
- chain:
id: B
binding: 91,128,131
- chain:
id: C
binding: 91,128,131
- protein:
id: E
sequence: 8..18
cyclic: True