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2016-4 Schrodinger Python API
Package schrodinger :: Package application :: Package matsci :: Module desmondutils :: Class SysbuildMSJStringer
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Class SysbuildMSJStringer

 object --+    
          |    
MSJStringer --+
              |
             SysbuildMSJStringer

An MSJStringer class for building systems

Instance Methods [hide private]
 
__init__(self, forcefield='OPLS_2005', compress='""', **kwargs)
Create a SysbuildMSJStringer object

Inherited from MSJStringer: createString, formLine, getTitle

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables [hide private]

Inherited from MSJStringer: ANALYSIS, ANALYSIS_TYPE, CHECKPOINT, COMPRESS, DIR, DOT, ENSEMBLE, ENSEMBLE_CLASS, ENSEMBLE_METHOD, INDENT, INTERVAL, JOBNAME, KNOWN_LINES, LINE_ORDER, MAX_STEPS, MINIMIZE, MSJ_BASE, MSJ_LAST, OTHERS, PADDING, PRESSURE, SETTINGS, SIMULATE, SYSBUILD, TEMP, TIME, TIMESTEP

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, forcefield='OPLS_2005', compress='""', **kwargs)
(Constructor)

 

Create a SysbuildMSJStringer object

Parameters:
  • forcefield (str) - The forcefield to use

    All other keyword arguments are turned into lines in the .msj file. See parent class for additional information.

Overrides: object.__init__

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2016-4 Schrodinger Python API
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