prune_atdiff_top5pct Namespace Reference

Functions
def	pair_up
def	main

Function Documentation

def prune_atdiff_top5pct.main

(

argv

)

Parse an "atomtree diff" format silent file and remove all but the top 5% by total score.
Also remove duplicate reference structures, which makes them faster to load
in Mini because fewer reference Pose objects have to be held in memory.

References ObjexxFCL.len(), basic::database.open(), pair_up(), round(), and binder.split().

def prune_atdiff_top5pct.pair_up

(

itr

)

Generates (key,val) pairs from [key1, val1, key2, val2, ...].

References basic::options::OptionKeys::mp::mutate_relax.iter.

Referenced by main().