Description of feature
Since EXTRACT_METRICS() performs everything the plotting and MultiQC needs (bare tsv metrics data), I would rather not mix concerns.
I would rather there was another process that took in already extracted metrics data and assembled the modelCIF file with properly populated classes, with ASSEMBLE_MODELCIF as separate way to portably handle this data embedded in-structure file.
Ranking question: modelCIF can contain all of the different ranked models in one file. Is that preferable as a single file to assemble and load, or should each rank be emitted as its own file?
Having it all as one ensemble file per program run means the protocol metadata is defined cleanly one, and modelCIF cleanly handles metrics per-rank
Description of feature
Since
EXTRACT_METRICS()performs everything the plotting and MultiQC needs (baretsvmetrics data), I would rather not mix concerns.I would rather there was another process that took in already extracted metrics data and assembled the modelCIF file with properly populated classes, with
ASSEMBLE_MODELCIFas separate way to portably handle this data embedded in-structure file.Ranking question: modelCIF can contain all of the different ranked models in one file. Is that preferable as a single file to assemble and load, or should each rank be emitted as its own file?
Having it all as one ensemble file per program run means the
protocolmetadata is defined cleanly one, and modelCIF cleanly handles metrics per-rank