Module compareDesmondSystems'

script used to compare two desmond systems

Classes

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System
A very basic class to hold cms data.

Functions

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compareDesmondSystems(filename1, filename2, log=None)
Function used to compare two desmond systems.

Variables

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__package__ = 'schrodinger.test.stu.outcomes'

Function Details

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compareDesmondSystems(filename1, filename2, log=None)

Function used to compare two desmond systems. Takes as arguments the file names of the two systems and an optional argument -log=loglocation. If the log file location is provided, differences are saved to file. Otherwise, they are printed to screen