Package rdkit :: Package Chem :: Module FragmentCatalog

[hide private]
[frames] | no frames]

# Module FragmentCatalog

source code

Classes | [hide private]

| BitGainsInfo

Functions | [hide private]

message(msg, dest=sys.stdout) | 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

Imports: sys, Chem