rdkit.Chem.FragmentCatalog

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=<epydoc.docintrospecter._DevNull object>) | 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

Variables | [hide private]
| __package__ = ``'``rdkit.Chem``'``

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