Documentation for Chemical Markup Language (CML)
Namespace:
http://www.xml-cml.org/schema
Schemas:
schema.xsd
AttributeGroups:
abbreviation
actionOrder
alternativeType
angleUnits
atomIDArray
atomMap
atomRef
atomRef1Array
atomRef2Array
atomRefArray
atomRefGroup
atomRefs
atomRefs2
atomRefs3
atomRefs4
atomSetRef
bondIDArray
bondMap
bondRef
bondRefs
box3
builtin
cellParameterError
cellParameterType
chirality
columns
concise
constantToData
constantToSI
constraint
content
convention
conventionValue
count
countArray
countExpression
dataType
default
delete
delimiter
dictRef
dictionaryPrefix
dimensionBasis
dimensionality
duration
eigenOrientation
electronMap
elementType
elementTypeArray
end
endCondition
errorBasis
errorValue
errorValueArray
eval
fileId
form
formalCharge
formalChargeArray
format
formula
fractionDigits
from
fromContext
fromSet
fromType
ft
href
hydrogenCount
hydrogenCountArray
id
idgen
inherit
inline
integral
irreducibleRepresentation
isSI
isotope
isotopeListRef
isotopeNumber
isotopeRef
kpoint
kpointRef
l
label
latticeType
length
linkType
list
lm
m
mandatoryId
matrixType
max
maxExclusive
maxInclusive
maxLength
maxValueArray
measurement
metadataType
min
minExclusive
minInclusive
minLength
minValueArray
moleculeRef
moleculeRefs
moleculeRefs2
multiplierToData
multiplierToSI
n
name
namespace
number
objectClass
occupancy
occupancyArray
order
orderArray
parameterName
parentAttribute
parentSI
pattern
peakHeight
peakMultiplicity
peakShape
peakStructureType
peakUnits
periodic
periodicity
point3
pointGroup
pointGroupMultiplicity
power
powerRequired
preserve
process
ratio
reactionFormat
reactionRole
reactionStepListType
reactionType
recommendedUnits
ref
regionRefs
relatedEntryType
role
rows
scheme
serial
shape
siNamespace
siNamespaceArray
size
spaceGroup
spaceGroupMultiplicity
spaceType
spectrumType
sphere3
spin
spinMultiplicity
start
startCondition
state
step
substanceListType
substitute
symbol
symmetryOriented
tableType
tautomeric
term
test
title
to
toContext
toSet
toType
totalDigits
type
unitListType
unitType
units
unitsRef
value
vector3
version
weight
whiteSpace
x2
x2Array
x3
x3Array
xFract
xFractArray
xMax
xMin
xUnits
xValue
xWidth
y2
y2Array
y3
y3Array
yFract
yFractArray
yMax
yMin
yUnits
yValue
yWidth
yield
z
z3
z3Array
zFract
zFractArray
Elements:
abundance
action
actionList
alternative
amount
angle
annotation
appinfo
arg
array
arrayList
atom
atomArray
atomParity
atomSet
atomType
atomTypeList
atomicBasisFunction
band
bandList
basisSet
bond
bondArray
bondSet
bondStereo
bondType
bondTypeList
cellParameter
cml
complexObject
conditionList
copy
crystal
definition
description
dictionary
dimension
documentation
eigen
electron
entry
enumeration
expression
float
floatArray
for
formula
fragment
fragmentList
gradient
identifier
integer
integerArray
isotope
isotopeList
join
kpoint
kpointList
label
lattice
latticeVector
length
line3
link
list
map
matrix
mechanism
mechanismComponent
metadata
metadataList
module
molecule
moleculeList
name
object
observation
operator
parameter
parameterList
particle
peak
peakGroup
peakList
peakStructure
plane3
point3
potential
potentialForm
potentialList
product
productList
property
propertyList
reactant
reactantList
reaction
reactionList
reactionScheme
reactionStep
reactionStepList
reactiveCentre
region
relatedEntry
sample
scalar
spectator
spectatorList
spectrum
spectrumData
spectrumList
sphere3
stmml
string
stringArray
substance
substanceList
symmetry
system
table
tableCell
tableContent
tableHeader
tableHeaderCell
tableRow
tableRowList
torsion
transform3
transitionState
unit
unitList
unitType
unitTypeList
vector3
xaxis
yaxis
zMatrix
SimpleTypes:
actionOrderType
alternativeTypeType
angleUnitsType
atomIDType
atomRefArrayType
atomRefType
atomRefs2Type
atomRefs3Type
atomRefs4Type
bondRefArrayType
bondRefType
box3Type
cellParameterType
chiralityType
complexType
coordinate2Type
coordinate3Type
coordinateComponentArrayType
countArrayType
countType
dataTypeType
delimiterType
dictionaryPrefixType
dimensionType
eigenOrientationType
elementTypeArrayType
elementTypeType
errorBasisType
errorValueArrayType
errorValueType
floatArrayType
formalChargeArrayType
formalChargeType
formatType
formulaType
ftType
headType
hydrogenCountArrayType
hydrogenCountType
idArrayType
idType
inheritType
integerArrayType
isotopeType
isotopicSpinType
latticeType
line3Type
linkTypeType
lmType
matrix44Type
matrixType
maxType
measurementType
metadataType
minType
moleculeIDType
moleculeRefArrayType
moleculeRefType
moleculeRefs2Type
namespaceArrayType
namespaceRefType
namespaceType
nonHydrogenCountType
nonNegativeAngleType
nonNegativeNumberType
occupancyArrayType
occupancyType
orderArrayType
orderType
peakMultiplicityType
peakShapeType
peakStructureTypeType
peakWidthType
plane3Type
point3Type
positiveAngleType
positiveNumberType
reactionFormatType
reactionRoleType
reactionStepListTypeType
reactionTypeType
refType
relatedEntryTypeType
repeatType
schemeType
shapeType
sizeType
spaceType
spectrumTypeType
sphere3Type
stateType
stereoType
stringArrayType
substanceListTypeType
tableTypeType
tailType
torsionAngleType
unitListTypeType
unitsType
vector3Type
versionType
xmlElementType