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__init__(self)
x.__init__(...) initializes x; see help(type(x)) for signature |
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(PhpHypoAdaptor, str)
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createPhaseHypothesis(self,
ph4_file)
Reads a MOE pharmacophore file, creating a Phase hypothesis from
relevant information. |
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_readMOEFile(self,
ph4_file)
Reads a MOE pharmacophore file, returning feature data as list of
pharmacophore site data organized by header indexed dictionaries. |
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_formInputData(self,
count,
headers,
input_list)
Creates a dictionary from MOE ph4 data, supplied as a number of
entries, headers with header types, and a list of all input values in
order. |
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_castMOEType(self,
value,
MOE_type)
Casts raw MOE pharmacophore strings. |
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_extractFeatures(self,
feature_data)
Extracts feature data from raw data dictionary read from MOE file
into Feature namedtuples. |
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_createFragmentLigand(self,
features)
Creates reference CT from fragments estimated from Feature
namedtuples |
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_createPhpDeltaHypo(self,
features)
Creates site tolerance PhpDeltaHypo data from Feature namedtuples |
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_createPhpFeatureRules(self,
features)
Creates site feature permitted and prohibitted rules PhpFeatureRules
from Feature namedtuples |
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Inherited from object:
__delattr__,
__format__,
__getattribute__,
__hash__,
__new__,
__reduce__,
__reduce_ex__,
__repr__,
__setattr__,
__sizeof__,
__str__,
__subclasshook__
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