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Package rdkit :: Package Chem :: Module FragmentCatalog
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Module FragmentCatalog

source code

Classes [hide private]
  BitGainsInfo
Functions [hide private]
 
message(msg, dest=sys.stderr) source code
 
ProcessGainsFile(fileName, nToDo=-1, delim=',', haveDescriptions=1) source code
 
BuildAdjacencyList(catalog, bits, limitInclusion=1, orderLevels=0) source code
 
GetMolsMatchingBit(mols, bit, fps) source code
 
ShowMolsMatchingBit(mols, bit, fps, actName='', wrapper=None, col=1, row=1) source code
Variables [hide private]
  xl = None

Imports: Chem, sys, sets, FragCatGenerator, FragCatParams, FragCatalog, FragFPGenerator


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