ample.main module¶

This is AMPLE

class Ample[source]¶

Bases: object

Class to generate ensembles from ab inito models (all models must have same sequence)

Methods

main([args])	Main AMPLE routine.
process_command_line([args, contacts, …])	Process the command-line.
setup(optd)	We take and return an ample dictionary as an argument.

benchmarking
ensembling
modelling
molecular_replacement

benchmarking(optd)[source]¶

ensembling(optd)[source]¶

main(args=None)[source]¶

Main AMPLE routine.

We require this as the multiprocessing module (only on **!!*%$$!! Windoze) requires that the main module can be imported. We there need ample to be a python script that can be imported, hence the main routine with its calling protected by the if __name__==”__main__”:…

args is an option argument that can contain the command-line arguments for the program - required for testing.

modelling(optd, rosetta_modeller=None)[source]¶

molecular_replacement(optd)[source]¶

process_command_line(args=None, contacts=True, modelling=True, mol_rep=True)[source]¶

Process the command-line. :args: optional argument that can hold the command-line arguments if we have been called from within python for testing

setup(optd)[source]¶

We take and return an ample dictionary as an argument.

This is required because options_processor.process_restart_options Changes what optd points at, and this means that if we just use the reference, we end up pointing at the old, obselete dictionary