schrodinger.application.jaguar.solvation_keywords module¶

This module documents all possible Solvation input keywords.

class schrodinger.application.jaguar.solvation_keywords.ConfFilters¶

Bases: StrEnum

Enum for the different conformer filters available in solvation.py.

QRNN = 'QRNN'¶

MLFF = 'MLFF'¶

XTB = 'xTB'¶

DFT = 'DFT'¶

schrodinger.application.jaguar.solvation_keywords.keyword(name, valid_type, default, description, hidden=False)¶: Convenience function to create a dictionary of SolvationKeyword’s

schrodinger.application.jaguar.solvation_keywords.generate_all_keywords()¶