Class ProtLigPolarInter

      object --+        
               |        
GeomAnalyzerBase --+    
                   |    
  _CompositeAnalyzer --+
                       |
                      ProtLigPolarInter

Calculate polar interactions between protein and ligand, with hbonds and water bridges excluded.

Returns a list of dict. The length of this list is the number of frames. The dict key is 'PolarResult', and the value is a list of _ProtLigPolarInter.Result, where prot_aid and lig_aid are the AID of the protein atom and ligand atom, polar_type is a string that denotes the side chain/backbone information, distance is the distance between the protein atom and the ligand atom. It also contains keys of 'HBondResult' and 'WaterBridgeResult' with ProtLigHbondInter and WaterBridges results as values.

Instance Methods

[hide private]

__init__(self, msys_model, cms_model, prot_asl, lig_asl, contact_cutoff=6.0, polar_inter_cutoff=3.7, hbond_cutoff=2.8)
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__