Package schrodinger :: Package trajectory :: Module proteininteractionsfinder :: Class ProteinProteinInteractionsFinder

Class ProteinProteinInteractionsFinder

               object --+    
                        |    
analysistool.AnalysisTool --+
                            |
                           ProteinProteinInteractionsFinder

A class which finds all protein-protein interactions.

Instance Methods

[hide private]

__init__(self, atomsel1, atomsel2=None, *args, **kwargs)
Initialize frame slicing information.

doFrameInit(self, frame)
Initialize data that requires a frame instance for reference.

updatePositions(self, frame)

processFrame(self, frame)
Collect data for the provided frame.

getSummaryResults(self)

getLabel(self)

_process_hbonds(self)

_process_saltbridge(self)

_process_pi(self)

Inherited from analysistool.AnalysisTool: getDataLabels, getFrameResults, getResults, plot, plot2D, postProcess, setSlice, shouldProcessFrame

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

Properties

[hide private]

tag2ca

Inherited from object: __class__

Method Details

[hide private]

init(self, atomsel1, atomsel2=None, *args, **kwargs)
(Constructor)

Initialize frame slicing information.

The behavior of 'start', 'stop', 'step' is the same as the python built-in range function. That is, 'start' is included in the values to be processed, but 'stop' is not. Only the largest value satisfying 'start' and 'step' that is less than 'stop' will be processed.

Parameters:

atomsel1 (AtomSelection instance) - Protein atom selection
atomsel2 (AtomSelection instance) - Second protein atom selection, default=None

Overrides: object.__init__

doFrameInit(self, frame)

Initialize data that requires a frame instance for reference.

This method will be called once, with the first frame that is processed.

Overrides: analysistool.AnalysisTool.doFrameInit: (inherited documentation)

processFrame(self, frame)

Collect data for the provided frame.

Overrides: analysistool.AnalysisTool.processFrame: (inherited documentation)

getLabel(self)

Overrides: analysistool.AnalysisTool.getLabel

Property Details

[hide private]

tag2ca

Get Method:: unreachable.tag2ca(self)

Class ProteinProteinInteractionsFinder

__init__(self, atomsel1, atomsel2=None, *args, **kwargs) (Constructor)

doFrameInit(self, frame)

processFrame(self, frame)

getLabel(self)

tag2ca

init(self, atomsel1, atomsel2=None, *args, **kwargs)
(Constructor)