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openchemlib-utils
openchemlib-utils
openchemlib-utils
Classes
MoleculesDB
Reactions
TopicMolecule
Interfaces
DiaIDAndInfo
GroupedDiaID
GroupedDiaIDsOptions
Variables
FULL_HOSE_CODE
HOSE_CODE_CUT_C_SP3_SP3
Functions
combineSmiles
createPolymer
ensureHeterotopicChiralBonds
fragmentAcyclicSingleBonds
getAtomFeatures
getAtoms
getAtomsInfo
getCharge
getConnectivityMatrix
getDiastereotopicAtomIDs
getDiastereotopicAtomIDsAndH
getDiastereotopicAtomIDsFromMolfile
getGroupedDiastereotopicAtomIDs
getHoseCodes
getHoseCodesAndInfo
getHoseCodesForAtom
getHoseCodesForAtoms
getHoseCodesForPath
getHoseCodesFromDiastereotopicID
getImplicitHydrogensCount
getMF
getMolfilesMapping
getNextNMRHint
getNMRHints
getPathAndTorsion
getPathsInfo
getProperties
getShortestPaths
groupDiastereotopicAtomIDs
isCsp3
makeRacemic
nbCHO
nbCN
nbCOOH
nbLabileH
nbNH2
nbOH
parseDwar
tagAtom
toDiastereotopicSVG
toggleHydrogens
toVisualizerMolfile
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Classes
MoleculesDB
Reactions
Topic
Molecule
Interfaces
DiaIDAnd
Info
Grouped
DiaID
Grouped
DiaIDs
Options
Variables
FULL_
HOSE_
CODE
HOSE_
CODE_
CUT_
C_
SP3_
SP3
Functions
combine
Smiles
create
Polymer
ensure
Heterotopic
Chiral
Bonds
fragment
Acyclic
Single
Bonds
get
Atom
Features
get
Atoms
get
Atoms
Info
get
Charge
get
Connectivity
Matrix
get
Diastereotopic
AtomIDs
get
Diastereotopic
AtomIDs
AndH
get
Diastereotopic
AtomIDs
From
Molfile
get
Grouped
Diastereotopic
AtomIDs
get
Hose
Codes
get
Hose
Codes
And
Info
get
Hose
Codes
For
Atom
get
Hose
Codes
For
Atoms
get
Hose
Codes
For
Path
get
Hose
Codes
From
DiastereotopicID
get
Implicit
Hydrogens
Count
getMF
get
Molfiles
Mapping
get
NextNMRHint
getNMRHints
get
Path
And
Torsion
get
Paths
Info
get
Properties
get
Shortest
Paths
group
Diastereotopic
AtomIDs
is
Csp3
make
Racemic
nbCHO
nbCN
nbCOOH
nb
LabileH
nbNH2
nbOH
parse
Dwar
tag
Atom
to
DiastereotopicSVG
toggle
Hydrogens
to
Visualizer
Molfile
openchemlib-utils
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