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Functions
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.

Definition at line 16 of file prune_atdiff_top5pct.py.

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

def prune_atdiff_top5pct.pair_up (   itr)
Generates (key,val) pairs from [key1, val1, key2, val2, ...].

Definition at line 11 of file prune_atdiff_top5pct.py.

Referenced by main().