schrodinger.structutils.shuffle module

exception schrodinger.structutils.shuffle.ShuffleException

Bases: Exception

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

Structures in input_file are shuffled and outputed to the output file

class schrodinger.structutils.shuffle.Shuffler

Bases: object

db_file

insertStructuresIntoDB(input_file)

finalize()

dumpShuffledStructures(outfile)