CML 3 Reference

OVERVIEW

Tree Structure

DETAILS

Attributes

abbreviation

atomID

atomMap

atomRef

atomRef1

atomRef2

atomRefArray

atomRefGroup

atomRefs

atomRefs2

atomRefs3

atomRefs4

atomSetRef

bondID

bondMap

bondRef

bondRefs

box3

chirality

columns

concise

constantToData

constantToSI

constraint

content

convention

conventionValue

count

countExpression

dataType

delimiter

dictionaryPrefix

dictRef

dimensionality

dimensionBasis

duration

electronMap

elementType

end

endCondition

error

errorBasis

errorValue

errorValueArray

fileId

form

formalCharge

format

formula

fractionDigits

from

fromContext

fromSet

fromType

ft

href

hydrogenCount

id

idgen

inherit

inline

integral

irreducibleRepresentation

isotopeListRef

isotopeNumber

isotopeRef

isSI

kpoint

kpointRef

l

label

latticeType

length

linkType

lm

m

matrixType

max

maxExclusive

maxInclusive

maxLength

maxValueArray

measurement

min

minExclusive

minInclusive

minLength

minValueArray

moleculeRef

moleculeRefs

moleculeRefs2

multiplierToData

multiplierToSI

n

name

namespace

number

objectClass

occupancy

order

orientation

parentSI

pattern

peakHeight

peakMultiplicity

peakShape

peakUnits

periodic

periodicity

point3

pointGroup

pointGroupMultiplicity

power

preserve

process

ratio

recommendedUnits

ref

regionRefs

role

rows

scheme

serial

shape

siNamespace

siNamespaceArray

size

spaceGroup

spaceGroupMultiplicity

spaceType

sphere3

spin

spinMultiplicity

start

startCondition

state

symbol

symmetryOriented

tableType

tautomeric

term

title

to

toContext

toSet

totalDigits

toType

type

units

unitType

value

vector3

version

weight

x2

x3

xFract

xMax

xMin

xUnits

xValue

xWidth

y2

y3

yFract

yield

yMax

yMin

yUnits

yValue

yWidth

z

z3

zFract

Elements

abundance

action

actionList

amount

angle

array

arrayList

atom

atomArray

atomicBasisFunction

atomParity

atomSet

atomType

atomTypeList

band

bandList

basisSet

bond

bondArray

bondSet

bondStereo

bondType

bondTypeList

cellParameter

cml

conditionList

crystal

definition

description

dictionary

dimension

documentation

eigen

electron

entry

formula

fragment

fragmentList

gradient

identifier

isotope

isotopeList

join

kpoint

kpointList

label

lattice

latticeVector

length

line3

list

map

matrix

mechanism

mechanismComponent

metadata

metadataList

module

molecule

moleculeList

name

object

observation

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

sample

scalar

spectator

spectatorList

spectrum

spectrumData

spectrumList

sphere3

stmml

substance

substanceList

symmetry

system

table

tableCell

tableContent

tableHeader

tableHeaderCell

tableRow

tableRowList

torsion

transform3

transitionState

unit

unitList

unitType

unitTypeList

vector3

xaxis

yaxis

zMatrix