Editing automated workflows after applying the workflow (i.e. generating the 40-50 job cards) exacerbates a desire to “replace” a card with a different job, much like how replacing with a “blueprint” which changes the parameters works, or otherwise change the order of jobs after they’re created without the need to change the J###. Right-click, change GPU version of micrograph extraction to CPU version. Darn, I deleted micrograph denoiser but now I want to add it back but it goes to the end of the list and that is much less satisfying than each job having inputs come from prior jobs, at least in card view position.
We have also observed low-level inputs are empty when generated, but replacing the card after the input job is complete then fills out the low-level inputs.. So queuing 40 jobs has lead to several cases where the parent job needs to be relaoded as input and breaks the chain of automation. This is in addition to issues of our own making when replacing micrograph preprocessing in the workflow with preprocessed exposures from LIVE.
Did I miss some way to incorporate micrograph junk detector and/or denoiser into LIVE?
Any way to have the “final” NU-refine after RBMC have matched parameters with the random prior job that generated the best resolution (which is then select volumes). would be nice to automatically use whichever parameters yielded highest res prior to RBMC for the final.
Halo sandbox mode and worldwide collaboration/utilization of custom works gives me the idea that having some repository where users could load their automated workflows would induce some friendly competition (fastest/best) and provide starting points for the many other complicated scenarios that users will automate, for general use. 5-stars rating system would be important to separate those which perform well from those which don’t. Fastest way to have the community generate and benefit from automated workflows for common SBDD repeat targets (like GPCRs that got it started), universal microscope benchmarking with Apoferritin or other, big protein vs small, 50k particles vs 10mil, discrete heterogeneity vs continuous, etc.