Module FraggleSim
Functions
GetFraggleSimilarity
atomContrib
compute_fraggle_similarity_for_subs
delete_bonds
generate_fraggle_fragmentation
isValidRingCut
select_fragments
Variables
ACYC_SMARTS
CYC_SMARTS
FTYPE_ACYCLIC
FTYPE_CYCLIC
FTYPE_CYCLIC_ACYCLIC
cSma1
cSma2
dummyAtomQuery
modified_query_fps
rdkitFpParams
[hide private]