42 lines
616 B
YAML
42 lines
616 B
YAML
regions:
|
|
|
|
site_1:
|
|
description: iodide_1
|
|
atoms:
|
|
- atom: I
|
|
res_name: IOD
|
|
chain: B
|
|
resid: 10
|
|
|
|
site_2:
|
|
description: iodide_2
|
|
atoms:
|
|
- atom: I
|
|
res_name: IOD
|
|
chain: B
|
|
resid: 12
|
|
|
|
site_3:
|
|
description: iodide_3
|
|
atoms:
|
|
- atom: I
|
|
res_name: IOD
|
|
chain: B
|
|
resid: 13
|
|
|
|
site_4:
|
|
description: iodide_4
|
|
atoms:
|
|
- atom: I
|
|
res_name: IOD
|
|
chain: B
|
|
resid: 14
|
|
|
|
site_5:
|
|
description: main_chain
|
|
atoms:
|
|
- atom: O
|
|
res_name: ARG
|
|
chain: A
|
|
resid: 73
|