Package schrodinger :: Package application :: Package desmond :: Package packages :: Module analysis :: Class ProtLigInter

[frames] | no frames]

Class ProtLigInter

      object --+        
               |        
GeomAnalyzerBase --+    
                   |    
  _CompositeAnalyzer --+
                       |
                      ProtLigInter

Composition of various protein ligand interactions.

Returns a list of dict. The length of this list is the number of frames. The dict keys are 'WaterBridgeResult', 'LigWatResult', 'HBondResult', 'PiPiResult', 'PiCatResult', 'MetalResult', 'PolarResult'.

Instance Methods

__init__(self, msys_model, cms_model, prot_asl, lig_asl)
x.__init__(...) initializes x; see help(type(x)) for signature

_postcalc(self, *args)

Inherited from _CompositeAnalyzer (private): _precalc

Inherited from GeomAnalyzerBase: __call__

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

Static Methods

Inherited from GeomAnalyzerBase (private): _get_sites, _sites2gids

Properties

Inherited from object: __class__

Method Details

init(self, msys_model, cms_model, prot_asl, lig_asl)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:

prot_asl (str) - ASL expression to specify protein atoms
lig_asl (str) - ASL expression to specify ligand atoms
msys_model (msys.System)
cms_model (schrodinger.structure.Structure)

Overrides: object.__init__

_postcalc(self, *args)

Overrides: GeomAnalyzerBase._postcalc: (inherited documentation)