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Initially this new python script will be used for the `PAE Jiffy` so that users can upload a PDB file and an AF2 PAE file to produce a CHARMM-compatable `const.inp` file.
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This will require running `CHARMM` on the `pdb_2_crd.inp` file generated by Michal's `pdb_2_crd.py` script.
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It seems that sometimes `KGSrna` takes a long time to run. I'm not sure why, but in the meantime it would be a nice feature to have the job status page give some sort of indication about the progress …
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should they be able to?
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Because we are just parsing the BullMQ logs for certain keywords things get weird when a job restarts (e.g. when `bilbomd-worker` gets restarted and the job gets queued up again). See the screenshot.
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so uninterested users can run BilboMD without thinking.
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Hey Scott, is it possible to increase allowable .json file sizes to >20MB for the PAE jiffy? My .json file size for a ~2100 aa pentamer is ~27MB. I am predicting a dimer of these pentamers now but cou…
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After submitting .crd and .json files, I am not getting any const.inp for download. When I click "submit," I see the wheels turning but shortly afterwards, the "submit" button refreshes and there are …