[phenixbb] automating setting up parallel refinement jobs

Pavel Afonine pafonine at lbl.gov
Sat Feb 19 00:55:16 PST 2011


  Hi Kendall,

> Hi Pavel, the time is not CPU time, its cut and pasting.

hm... I'm a bit confused, sorry.. If running phenix.find_tls_group takes 
from few seconds to few minutes, do you mean that the rest 7+ hours goes 
to "cut and pasting"? Am I completely misunderstanding something? 
Anyway, I'm sure there are ways to improve it. I do lots of systematic 
runs of refinement or/and other statistics gathering runs through the 
whole PDB and I've never faced such a challenge, so I believe we can 
automate what you do. Let's discuss it (may be off-list).

Pavel.



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