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¶
- __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.