schrodinger.application.desmond.stage.app.fragment_linking.stage module

class schrodinger.application.desmond.stage.app.fragment_linking.stage.FragmentLinkingPrimer(*args, **kwargs)

Bases: schrodinger.application.desmond.cmj.StructureStageBase

NAME = 'fragment_linking_primer'
PARAM = <schrodinger.utils.sea.sea.Map object>
run(jobname: str, mae_fname: str) → Optional[str]
Parameters

  • jobname – Jobname for this stage.

  • input_fname – Filename for the input structure.

Returns

Filename for the output structure or None if there was an error generating the output.