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openchemlib-utils
openchemlib-utils
tagAtom
Function tagAtom
tag
Atom
(
molecule
,
iAtom
)
:
string
Tag an atom to be able to visualize it
Parameters
molecule
:
Molecule
iAtom
:
number
Returns
string
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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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Tag an atom to be able to visualize it