schrodinger.application.jaguar.csrch_input_constants module¶

Constants for csrch.py related to user input. We store them here in mmshare so they are accessible to the GUI code.

class schrodinger.application.jaguar.csrch_input_constants.ACC_LEVEL(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)¶

Bases: enum.Enum

Accuracy level settings for Jaguar conf search methods

HIGH = 'high'¶

QUICK = 'quick'¶

STD = 'std'¶

default = 'std'¶

class schrodinger.application.jaguar.csrch_input_constants.SOLVENT(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)¶

Bases: enum.Enum

Solvent codes for available Macromodel solvents

WATER = 'water'¶

CHCL3 = 'chcl3'¶

OCTANOL = 'octanol'¶

default = 'water'¶

class schrodinger.application.jaguar.csrch_input_constants.CS_METHOD(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)¶

Bases: enum.Enum

Conformational search methodology

MIXED = 'mixed'¶

LOWMODE = 'lowmode'¶

MCMM = 'mcmm'¶

CONFGEN = 'confgen'¶

default = 'mixed'¶