v1
latestOpenAPI 3.0.22026-07-17171545.4 KBSnap Write
Write snapshot to database. The snapshot refers to input state and output filter state for a query. With this data, we can recreate input + output for a query of interest.
This way, users can save and share results simply by passing around a unique link containing the {snapshot_id} (in combination with functionality provided by the frontend API)
post/snap_write
Request body
Example request
{
"snapquery_id": "",
"query_id": -1,
"query_type": "exact",
"transform_order": "first_order",
"sketched_content": {
"mol1_molfile": "\n Ketcher 8112214332D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 0 999 V2000\n 6.1042 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9702 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9702 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1042 -6.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2382 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2382 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1042 -3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 6 1 2 0 0 0\n 1 7 1 0 0 0\nM END\n",
"mol1_variable_atoms": "6",
"mol1_variable_bonds": "",
"mol1_environment_atoms": "0",
"mol1_environment_bonds": "",
"mol2_molfile": "\n Ketcher 8112214352D 1 1.00000 0.00000 0\n\n 7 7 0 0 0 0 999 V2000\n 6.4583 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3243 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3243 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4583 -6.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5923 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5923 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4583 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0\n 2 3 2 0 0 0\n 3 4 1 0 0 0\n 4 5 2 0 0 0\n 5 6 1 0 0 0\n 6 1 2 0 0 0\n 1 7 1 0 0 0\nM END\n",
"mol2_variable_atoms": "6",
"mol2_variable_bonds": "",
"mol2_environment_atoms": "0",
"mol2_environment_bonds": ""
},
"REQUIRED_properties": "",
"OPTIONAL_properties": "hERG_pIC50",
"snapfilter_id": "",
"snapfilter_string": ""
}Response
Successful Response
{"stackTrail":"paths:/snap_write:post:responses:200:content:application/json:schema","oasType":"schema","type":"unknown"}