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Metadata parameters
Stefan Zasada edited this page Mar 10, 2017
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2 revisions
Each model top level directory should contain a metadata file bac.json
. All API commands should reference this file (rather than trying to parse model paths/filenames for example). If the file is missing or corrupt, the API call should fail. A tool/API call is required to rebuild a missing/corrupt file (probably by requesting input from the user).
The file should at minimum include the following information:
{
"modelID": "ID",
"createBy": "NAME",
"createdOn": DATE,
"systemName": "NAME",
"ligand": "NAME",
"startPDB": "FILE",
"protocol": TIES|ESMACS.
"buildParams": [{
{"param1": "PARAM1"},
{"param2": "PARAM2"},
...
}],
"runInfo": {
"runOn": "machine",
"runFabric": RADICAL|AWS,
"runBy": "NAME",
"runDate": DATE,
...
},
"analysisInfo": {
....
}
}
The information in the file should be populated as the workflow progresses. Optionally it may be necessary to store the file in e.g. MongoDB to centralise the record of what has been run.