Download data/examples/ibuprofen_complete/prep_decisions.json from chihsing/DrugOps: direct link, hf CLI and curl.
- Browser
- Download file 3.03 kB
-
https://huggingface.co/spaces/chihsing/DrugOps/resolve/main/data/examples/ibuprofen_complete/prep_decisions.json
- Command line
-
hf download hf://spaces/chihsing/DrugOps/data/examples/ibuprofen_complete/prep_decisions.json
-
curl -L -o prep_decisions.json https://huggingface.co/spaces/chihsing/DrugOps/resolve/main/data/examples/ibuprofen_complete/prep_decisions.json
3.03 kB
| { | |
| "schema_version": "0.3", | |
| "decisions": { | |
| "stage15_cofactor": { | |
| "action": "remove_all", | |
| "kept": [], | |
| "removed": [ | |
| "COH", | |
| "COH", | |
| "NAG", | |
| "NAG", | |
| "NAG", | |
| "MAN", | |
| "NAG", | |
| "NAG", | |
| "NAG", | |
| "NAG", | |
| "MAN", | |
| "NAG", | |
| "NAG" | |
| ], | |
| "detected": [ | |
| { | |
| "resname": "COH", | |
| "chain": "A", | |
| "resseq": 602, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "COH", | |
| "chain": "B", | |
| "resseq": 602, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "B", | |
| "resseq": 603, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "C", | |
| "resseq": 1, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "C", | |
| "resseq": 2, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "MAN", | |
| "chain": "C", | |
| "resseq": 3, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "D", | |
| "resseq": 1, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "D", | |
| "resseq": 2, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "E", | |
| "resseq": 1, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "E", | |
| "resseq": 2, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "MAN", | |
| "chain": "E", | |
| "resseq": 3, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "F", | |
| "resseq": 1, | |
| "kind": "het" | |
| }, | |
| { | |
| "resname": "NAG", | |
| "chain": "F", | |
| "resseq": 2, | |
| "kind": "het" | |
| } | |
| ], | |
| "index_flagged": [], | |
| "status": "MANUAL" | |
| }, | |
| "stage16_propka": { | |
| "status": "SKIPPED", | |
| "flag": "PROPKA_SKIPPED", | |
| "note": "快速版占位。正式版需 PROPKA/PDB2PQR 並重跑。" | |
| }, | |
| "stage17_override": { | |
| "rules": {}, | |
| "family": "cyclooxygenase", | |
| "status": "AUTO" | |
| }, | |
| "stage18_saltbridge": { | |
| "status": "SKIPPED", | |
| "flag": "SALT_BRIDGE_SKIPPED", | |
| "note": "快速版占位。正式版需 PROPKA 完成後再分析。" | |
| } | |
| }, | |
| "flags": [ | |
| "PROPKA_SKIPPED", | |
| "SALT_BRIDGE_SKIPPED", | |
| "STAGE15_MANUAL_COFACTOR" | |
| ], | |
| "target": "COX2", | |
| "pdb_id": "5IKT", | |
| "cocrystal_het": "TLF", | |
| "engines": { | |
| "engine_b": { | |
| "status": "complete", | |
| "completed_at": "2026-04-06T19:00:36.943598", | |
| "stages": [ | |
| "15", | |
| "16", | |
| "17", | |
| "18" | |
| ] | |
| } | |
| }, | |
| "ready_for_engine_e": true, | |
| "_timestamp": "2026-04-06T19:00:36.943598" | |
| } |