Hi Kendal, one day there will be a new keyword: strategy=auto which would do as much automatic decisions as possible.
and expect to spend maybe 8 hours generating TLS groups
I've never seen phenix.find_tls_groups running more than a few minutes on one CPU for a huge structure (it takes seconds for small to medium structures, and may take a minute for large ones).
I don't see a way to select different TLS groups. I really prefer to test different ones myself for comparison, at least to convince myself that the auto selection is superior. We see big differences from optimizing TLS group number. Right now I am asking TLSMD to generate all these tls files, copying them to my desktop, copying to parameter files. Help!
I wrote phenix.find_tls_groups to avoid the tedium of doing this. If you find a problem using phenix.find_tls_groups (as part of your systematic tests) please let me know. Good luck! Pavel.