Package schrodinger :: Package application :: Package glide :: Module xp6classes :: Class NewxpJobdata

Class NewxpJobdata

object --+    
         |    
   Complex --+
             |
            NewxpJobdata

Instance Methods

[hide private]

__init__(self)
Input is the protein and ligand cts

getNewxpJobname(self, jobname=None)

readNewxpInputFile(self, skipbad=False)

readComplexes(self, complexes, newxp_jobparams, config)

Inherited from Complex: createGlideInput, findGlideInput, getWmapParams, myNewDir, setWatermapParameters

Inherited from Complex (private): _getBindingData, _makeValidationBasename

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self)
(Constructor)

Input is the protein and ligand cts

Overrides: object.__init__: (inherited documentation)

Class NewxpJobdata

__init__(self) (Constructor)

init(self)
(Constructor)