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openchemlib-utils
openchemlib-utils
parseDwar
Function parseDwar
parse
Dwar
(
text
)
:
{
data
:
never
[]
;
}
Convert a DataWarrior database into a JSON object
Parameters
text
:
string
Returns
{
data
:
never
[]
;
}
data
:
never
[]
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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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Convert a DataWarrior database into a JSON object