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Package PyAutoDock :: Module reporter :: Class PerAtomTypeReporter
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Class PerAtomTypeReporter

source code

this reporter gets score_array per term, multiplies by weight, then reports av, max and min of all entries per atom type in the ligand

Instance Methods [hide private]
  __init__(self, scorer, level=<class MolKit.molecule.Atom at 0xb7b9d2fc>, config=1, term_labels=['ele','hb','vdw','hph'])
  build_stats(self)
  process_score_array(self, score_array, dict, verbose=0)
  pretty_print(self)
  write(self, fileptr)

Method Details [hide private]

__init__(self, scorer, level=<class MolKit.molecule.Atom at 0xb7b9d2fc>, config=1, term_labels=['ele','hb','vdw','hph'])
(Constructor)

source code 
None

build_stats(self)

source code 
None

process_score_array(self, score_array, dict, verbose=0)

source code 
None

pretty_print(self)

source code 
None

write(self, fileptr)

source code 
None

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