schrodinger.application.desmond.fragment_linking.stage module

class schrodinger.application.desmond.fragment_linking.stage.FragmentLinkingPrimer(should_pack=True)

Bases: schrodinger.application.desmond.cmj.StageBase

NAME = 'fragment_linking_primer'
TAG = 'FRAGMENT_LINKING_PRIMER'
PARAM = <schrodinger.utils.sea.Map object>
crunch()

This is where jobs of this stage are created. This function should be overriden by the subclass.

__init__(should_pack=True)
capture(job)
check_param()
count = 0
describe()
determine()
hook_captured_successful_job(job)
pack_stage(force=False)
poststage()
prestage()
push(job)
release(is_restarting=False)

Calls the ‘crunch’ method to generate new jobs objects and submits them to the ‘QUEUE’.

restart_subjobs(jobs)

Subclass should override this if it supports subjob restarting.

stage_cls = {'fragment_linking_primer': <class 'schrodinger.application.desmond.fragment_linking.stage.FragmentLinkingPrimer'>, 'generic': <class 'schrodinger.application.desmond.cmj.StageBase'>, 'load_restraints_from_structure': <class 'schrodinger.application.desmond.restraint.restraint_stage.LoadRestraintsFromStructure'>}
stage_obj = {}
time_stage()