[phenixbb] speeding up effective resolution calculation
ericwilliams at pobox.com
Thu Dec 6 19:59:48 PST 2018
Greetings, all. I have what may be a naive question. :)
I'm using phenix.resolution to calculate effective resolution, and I'm
looking for ways to speed it up. I've tried a few different machine
configurations, and it always takes around 20 minutes per structure. This
is problematic for me, because I'm trying to collect data from the entire
PDB. Does anyone here have experience using NumPy to optimize scripts and
helpful suggestions for this case? Alternatively, how much speedup am I
likely to get by rewriting the script in C and using it as a module?
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