Package PyAutoDock :: Module AutoDockScorer :: Class AutoDock305Scorer

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Class AutoDock305Scorer

scorer.ScoringStrategy --+            
                         |            
     scorer.PairwiseScorer --+        
                             |        
  scorer.DistDepPairwiseScorer --+    
                                 |    
          scorer.WeightedMultiTerm --+
                                     |
            AutoDockTermWeights305 --+
                                     |
                                    AutoDock305Scorer

Instance Methods

__init__(self)
constructor

get_score_array(self)
return a list of score for each terms per atoms

labels_atoms_w_nrg(self, score_array)
will label each atoms with a nrg score

Inherited from scorer.WeightedMultiTerm: add_term, get_score, get_score_per_term, set_molecular_system

Inherited from scorer.DistDepPairwiseScorer (private): _f

Inherited from scorer.PairwiseScorer: post_process

Class Variables

Inherited from scorer.DistDepPairwiseScorer: non_bonded_cutoff

Inherited from AutoDockTermWeights305: dsolv_weight, estat_weight, hbond_weight, vdw_weight

Method Details

init(self)
(Constructor)

constructor

Overrides: scorer.WeightedMultiTerm.__init__

get_score_array(self)

return a list of score for each terms per atoms

Overrides: scorer.WeightedMultiTerm.get_score_array

labels_atoms_w_nrg(self, score_array)

will label each atoms with a nrg score