schrodinger.application.mcpro.mc module

Monte Carlo panel.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.mcpro.mc.DrawMcPanel(master)

See initiator docstring.

getSystemOpt()

Overloaded method to return current systemOpt value

initEntry(variable, init)

Method to initialize entryfields at their default values

mcSolvDep(isolv)

Function to enable the solvent panel to set dependencies on the mc panel (1) Remove NVT/NPT option (2) pack_forget() solvent-only stage isolv = 0 All options viewed isolv = 2 Remove (1) isolv = 3,4 Remove (1) and (2) isolv = 1 isn’t valid for FEP

reset()

Method to reset GUI

setDefaults()

Method to set defaults

settings()

method to return a dictionary of job settings by name used in mcpro_driver.py