Class HydrophobicInter

      object --+        
               |        
GeomAnalyzerBase --+    
                   |    
  _CompositeAnalyzer --+
                       |
                      HydrophobicInter

Calculate hydrophobic interactions between protein and ligand, with hbonds and pi-pi interactions excluded.

Returns a list of dict. The length of this list is the number of frames. The dict key is 'HydrophobicResult', and the value is a list of _HydrophobicInter.Result, where ca_aid is the AID of alpha carbon, frag_idx is the index of ligand fragment. There are also keys of 'PiPiResult', 'PiCatResult', 'HBondResult' with ProtLigPiInter, ProtLigHbondInter results as values.

Instance Methods

[hide private]

__init__(self, msys_model, cms_model, prot_asl, lig_asl, contact_cutoff=6.0, hydrophobic_search_cutoff=3.2, 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__