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openchemlib-utils
openchemlib-utils
groupDiastereotopicAtomIDs
Function groupDiastereotopicAtomIDs
group
Diastereotopic
AtomIDs
(
diaIDs
,
molecule
,
options
?
)
:
GroupedDiaID
[]
Parameters
diaIDs
:
string
[]
molecule
:
Molecule
options
:
GroupedDiaIDsOptions
= {}
Returns
GroupedDiaID
[]
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openchemlib-utils
MoleculesDB
Reactions
TopicMolecule
DiaIDAndInfo
GroupedDiaID
GroupedDiaIDsOptions
FULL_HOSE_CODE
HOSE_CODE_CUT_C_SP3_SP3
combineSmiles
createPolymer
ensureHeterotopicChiralBonds
fragmentAcyclicSingleBonds
getAtomFeatures
getAtoms
getAtomsInfo
getCharge
getConnectivityMatrix
getDiastereotopicAtomIDs
getDiastereotopicAtomIDsAndH
getDiastereotopicAtomIDsFromMolfile
getGroupedDiastereotopicAtomIDs
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