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)

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)

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)

Bases: enum.Enum

Conformational search methodology

MIXED = 'mixed'

LOWMODE = 'lowmode'

MCMM = 'mcmm'

CONFGEN = 'confgen'

default = 'mixed'