schrodinger.structutils.shuffle module

exception schrodinger.structutils.shuffle.ShuffleException

Bases: exceptions.Exception

class schrodinger.structutils.shuffle.Shuffler

Bases: object

db_file

dumpShuffledStructures(outfile)

finalize()

insertStructuresIntoDB(input_file)

schrodinger.structutils.shuffle.shuffle_structs(input_file, output_file)

Structures in input_file are shuffled and outputed to the output file