schrodinger.application.desmond.stage.app.constant_ph module

class schrodinger.application.desmond.stage.app.constant_ph.SiteAndProtonationIds(sitename: str, prot_ids: List[int], deprot_ids: List[int])

Bases: object

sitename: str

prot_ids: List[int]

deprot_ids: List[int]

__init__(sitename: str, prot_ids: List[int], deprot_ids: List[int]) → None

class schrodinger.application.desmond.stage.app.constant_ph.ConstantpHAnalysis(should_pack=True)

Bases: schrodinger.application.desmond.cmj.StageBase

NAME = 'constant_ph_analysis'

PARAM = <schrodinger.utils.sea.sea.Map object>

crunch()

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