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'