Chemical Markup Language [CML]

Schema Information

Version
3
Category
DocumentFormat
Namespace
Description
Chemical Markup Language
Publication
2012
Copyright
CMLC 2010-2012. https://creativecommons.org/licenses/by/3.0/

attributes

  1. abbreviation_abbreviation
  2. actionOrder_order
  3. angleUnits_units
  4. atomIDArray_atomID
  5. atomMap_atomMap
  6. atomRef1Array_atomRef1
  7. atomRef2Array_atomRef2
  8. atomRefArray_atomRefArray
  9. atomRefGroup_atomRefGroup
  10. atomRef_atomRef
  11. atomRefs2_atomRefs2
  12. atomRefs3_atomRefs3
  13. atomRefs4_atomRefs4
  14. atomRefs_atomRefs
  15. atomSetRef_atomSetRef
  16. bondIDArray_bondID
  17. bondMap_bondMap
  18. bondRef_bondRef
  19. bondRefs_bondRefs
  20. box3_box3
  21. cellParameterError_error
  22. chirality_chirality
  23. columns_columns
  24. concise_concise
  25. constantToData_constantToData
  26. constantToSI_constantToSI
  27. constraint_constraint
  28. content_content
  29. conventionValue_conventionValue
  30. convention_convention
  31. countArray_count
  32. countExpression_countExpression
  33. count_count
  34. dataType_dataType
  35. default_default
  36. delimiter_delimiter
  37. dictRef_dictRef
  38. dictionaryPrefix_dictionaryPrefix
  39. dimensionBasis_dimensionBasis
  40. dimensionality_dimensionality
  41. duration_duration
  42. eigenOrientation_orientation
  43. electronMap_electronMap
  44. elementTypeArray_elementType
  45. elementType_elementType
  46. endCondition_endCondition
  47. end_end
  48. errorBasis_errorBasis
  49. errorValueArray_errorValueArray
  50. errorValue_errorValue
  51. eval_eval
  52. fileId_fileId
  53. form_form
  54. formalChargeArray_formalCharge
  55. formalCharge_formalCharge
  56. format_format
  57. formula_formula
  58. fractionDigits_fractionDigits
  59. fromContext_fromContext
  60. fromSet_fromSet
  61. fromType_fromType
  62. from_from
  63. ft_ft
  64. href_href
  65. hydrogenCountArray_hydrogenCount
  66. hydrogenCount_hydrogenCount
  67. id_id
  68. idgen_idgen
  69. inherit_inherit
  70. inline_inline
  71. integral_integral
  72. irreducibleRepresentation_irreducibleRepresentation
  73. isSI_isSI
  74. isotopeListRef_isotopeListRef
  75. isotopeNumber_isotopeNumber
  76. isotopeRef_isotopeRef
  77. kpointRef_kpointRef
  78. kpoint_kpoint
  79. l_l
  80. label_label
  81. latticeType_ns.xml-cml.org_schema_latticeType_latticeType
  82. length_length
  83. linkType_linkType
  84. list_list
  85. lm_lm
  86. m_m
  87. mandatoryId_id
  88. matrixType_ns.xml-cml.org_schema_matrixType_matrixType
  89. maxExclusive_maxExclusive
  90. maxInclusive_maxInclusive
  91. maxLength_maxLength
  92. maxValueArray_maxValueArray
  93. max_max
  94. measurement_measurement
  95. minExclusive_minExclusive
  96. minInclusive_minInclusive
  97. minLength_minLength
  98. minValueArray_minValueArray
  99. min_min
  100. moleculeRef_moleculeRef
  101. moleculeRefs2_moleculeRefs2
  102. moleculeRefs_moleculeRefs
  103. multiplierToData_multiplierToData
  104. multiplierToSI_multiplierToSI
  105. n_n
  106. name_name
  107. name_ns.xml-cml.org_schema_metadataType_name
  108. namespace_namespace
  109. number_number
  110. objectClass_objectClass
  111. occupancyArray_occupancy
  112. occupancy_occupancy
  113. orderArray_order
  114. order_order
  115. parameterName_parameterName
  116. parentAttribute_parentAttribute
  117. parentSI_parentSI
  118. pattern_pattern
  119. peakHeight_peakHeight
  120. peakMultiplicity_peakMultiplicity
  121. peakShape_peakShape
  122. peakStructureType_type
  123. peakUnits_peakUnits
  124. periodic_periodic
  125. periodicity_periodicity
  126. point3_point3
  127. pointGroupMultiplicity_pointGroupMultiplicity
  128. pointGroup_pointGroup
  129. powerRequired_power
  130. power_power
  131. preserve_preserve
  132. process_process
  133. ratio_ratio
  134. reactionFormat_format
  135. reactionRole_role
  136. reactionStepListType_type
  137. reactionType_type
  138. recommendedUnits_recommendedUnits
  139. ref_ref
  140. regionRefs_regionRefs
  141. role_role
  142. rows_rows
  143. scheme_scheme
  144. serial_serial
  145. shape_shape
  146. siNamespaceArray_siNamespaceArray
  147. siNamespace_siNamespace
  148. size_size
  149. spaceGroupMultiplicity_spaceGroupMultiplicity
  150. spaceGroup_spaceGroup
  151. spaceType_ns.xml-cml.org_schema_spaceType_spaceType
  152. spectrumType_type
  153. sphere3_sphere3
  154. spinMultiplicity_spinMultiplicity
  155. spin_spin
  156. startCondition_startCondition
  157. start_start
  158. state_state
  159. step_step
  160. substanceListType_type
  161. substitute_substitute
  162. symbol_symbol
  163. symmetryOriented_symmetryOriented
  164. tableType_tableType
  165. tautomeric_tautomeric
  166. term_term
  167. test_test
  168. title_title
  169. toContext_toContext
  170. toSet_toSet
  171. toType_toType
  172. to_to
  173. totalDigits_totalDigits
  174. type_ns.xml-cml.org_schema_cellParameterType_type
  175. type_type
  176. unitType_unitType
  177. units_units
  178. value_value
  179. vector3_vector3
  180. version_version
  181. weight_weight
  182. x2Array_x2
  183. x2_x2
  184. x3Array_x3
  185. x3_x3
  186. xFractArray_xFract
  187. xFract_xFract
  188. xMax_xMax
  189. xMin_xMin
  190. xUnits_xUnits
  191. xValue_xValue
  192. xWidth_xWidth
  193. y2Array_y2
  194. y2_y2
  195. y3Array_y3
  196. y3_y3
  197. yFractArray_yFract
  198. yFract_yFract
  199. yMax_yMax
  200. yMin_yMin
  201. yUnits_yUnits
  202. yValue_yValue
  203. yWidth_yWidth
  204. yield_yield
  205. z3Array_z3
  206. z3_z3
  207. zFractArray_zFract
  208. zFract_zFract
  209. z_z

attributeGroups

  1. abbreviation
  2. actionOrder
  3. angleUnits
  4. atomIDArray
  5. atomMap
  6. atomRef
  7. atomRef1Array
  8. atomRef2Array
  9. atomRefArray
  10. atomRefGroup
  11. atomRefs
  12. atomRefs2
  13. atomRefs3
  14. atomRefs4
  15. atomSetRef
  16. bondIDArray
  17. bondMap
  18. bondRef
  19. bondRefs
  20. box3
  21. cellParameterError
  22. cellParameterType_ns.xml-cml.org_schema_cellParameterType
  23. chirality
  24. columns
  25. concise
  26. constantToData
  27. constantToSI
  28. constraint
  29. content
  30. convention
  31. conventionValue
  32. count
  33. countArray
  34. countExpression
  35. dataType
  36. default
  37. delimiter
  38. dictRef
  39. dictionaryPrefix
  40. dimensionBasis
  41. dimensionality
  42. duration
  43. eigenOrientation
  44. electronMap
  45. elementType
  46. elementTypeArray
  47. end
  48. endCondition
  49. errorBasis
  50. errorValue
  51. errorValueArray
  52. eval
  53. fileId
  54. form
  55. formalCharge
  56. formalChargeArray
  57. format
  58. formula
  59. fractionDigits
  60. from
  61. fromContext
  62. fromSet
  63. fromType
  64. ft
  65. href
  66. hydrogenCount
  67. hydrogenCountArray
  68. id
  69. idgen
  70. inherit
  71. inline
  72. integral
  73. irreducibleRepresentation
  74. isSI
  75. isotopeListRef
  76. isotopeNumber
  77. isotopeRef
  78. kpoint
  79. kpointRef
  80. l
  81. label
  82. latticeType_ns.xml-cml.org_schema_latticeType
  83. length
  84. linkType
  85. list
  86. lm
  87. m
  88. mandatoryId
  89. matrixType_ns.xml-cml.org_schema_matrixType
  90. max
  91. maxExclusive
  92. maxInclusive
  93. maxLength
  94. maxValueArray
  95. measurement
  96. metadataType_ns.xml-cml.org_schema_metadataType
  97. min
  98. minExclusive
  99. minInclusive
  100. minLength
  101. minValueArray
  102. moleculeRef
  103. moleculeRefs
  104. moleculeRefs2
  105. multiplierToData
  106. multiplierToSI
  107. n
  108. name
  109. namespace
  110. number
  111. objectClass
  112. occupancy
  113. occupancyArray
  114. order
  115. orderArray
  116. parameterName
  117. parentAttribute
  118. parentSI
  119. pattern
  120. peakHeight
  121. peakMultiplicity
  122. peakShape
  123. peakStructureType
  124. peakUnits
  125. periodic
  126. periodicity
  127. point3
  128. pointGroup
  129. pointGroupMultiplicity
  130. power
  131. powerRequired
  132. preserve
  133. process
  134. ratio
  135. reactionFormat
  136. reactionRole
  137. reactionStepListType
  138. reactionType
  139. recommendedUnits
  140. ref
  141. regionRefs
  142. role
  143. rows
  144. scheme
  145. serial
  146. shape
  147. siNamespace
  148. siNamespaceArray
  149. size
  150. spaceGroup
  151. spaceGroupMultiplicity
  152. spaceType_ns.xml-cml.org_schema_spaceType
  153. spectrumType
  154. sphere3
  155. spin
  156. spinMultiplicity
  157. start
  158. startCondition
  159. state
  160. step
  161. substanceListType
  162. substitute
  163. symbol
  164. symmetryOriented
  165. tableType
  166. tautomeric
  167. term
  168. test
  169. title
  170. to
  171. toContext
  172. toSet
  173. toType
  174. totalDigits
  175. type
  176. unitType
  177. units
  178. value
  179. vector3
  180. version
  181. weight
  182. x2
  183. x2Array
  184. x3
  185. x3Array
  186. xFract
  187. xFractArray
  188. xMax
  189. xMin
  190. xUnits
  191. xValue
  192. xWidth
  193. y2
  194. y2Array
  195. y3
  196. y3Array
  197. yFract
  198. yFractArray
  199. yMax
  200. yMin
  201. yUnits
  202. yValue
  203. yWidth
  204. yield
  205. z
  206. z3
  207. z3Array
  208. zFract
  209. zFractArray

elements

  1. abundance
  2. action
  3. actionList
  4. amount
  5. angle
  6. anyCml
  7. array
  8. arrayList
  9. atom
  10. atomArray
  11. atomParity
  12. atomSet
  13. atomType
  14. atomTypeList
  15. atomicBasisFunction
  16. band
  17. bandList
  18. basisSet
  19. bond
  20. bondArray
  21. bondSet
  22. bondStereo
  23. bondType
  24. bondTypeList
  25. cellParameter
  26. cml
  27. conditionList
  28. crystal
  29. definition
  30. description
  31. dictionary
  32. dimension
  33. documentation
  34. eigen
  35. electron
  36. entry
  37. formula_ns.xml-cml.org_schema_formula
  38. fragment
  39. fragmentList
  40. gradient
  41. identifier
  42. isotope
  43. isotopeList
  44. join
  45. kpointList
  46. kpoint_ns.xml-cml.org_schema_kpoint
  47. label_ns.xml-cml.org_schema_label
  48. lattice
  49. latticeVector
  50. length_ns.xml-cml.org_schema_length
  51. line3
  52. link
  53. list_ns.xml-cml.org_schema_list
  54. map
  55. matrix
  56. mechanism
  57. mechanismComponent
  58. metadata
  59. metadataList
  60. module
  61. molecule
  62. moleculeList
  63. name_ns.xml-cml.org_schema_name
  64. object
  65. observation
  66. parameter
  67. parameterList
  68. particle
  69. peak
  70. peakGroup
  71. peakList
  72. peakStructure
  73. plane3
  74. point3_ns.xml-cml.org_schema_point3
  75. potential
  76. potentialForm
  77. potentialList
  78. product
  79. productList
  80. property
  81. propertyList
  82. reactant
  83. reactantList
  84. reaction
  85. reactionList
  86. reactionScheme
  87. reactionStep
  88. reactionStepList
  89. reactiveCentre
  90. region
  91. sample
  92. scalar
  93. spectator
  94. spectatorList
  95. spectrum
  96. spectrumData
  97. spectrumList
  98. sphere3_ns.xml-cml.org_schema_sphere3
  99. stmml
  100. substance
  101. substanceList
  102. symmetry
  103. system
  104. table
  105. tableCell
  106. tableContent
  107. tableHeader
  108. tableHeaderCell
  109. tableRow
  110. tableRowList
  111. torsion
  112. transform3
  113. transitionState
  114. unit
  115. unitList
  116. unitTypeList
  117. unitType_ns.xml-cml.org_schema_unitType
  118. vector3_ns.xml-cml.org_schema_vector3
  119. xaxis
  120. yaxis
  121. zMatrix

schemas

  1. schema.xsd

simpleTypes

  1. actionOrderType
  2. angleUnitsType
  3. atomIDType
  4. atomRefArrayType
  5. atomRefType
  6. atomRefs2Type
  7. atomRefs3Type
  8. atomRefs4Type
  9. bondRefArrayType
  10. bondRefType
  11. box3Type
  12. cellParameterType
  13. chiralityType
  14. complexType
  15. coordinate2Type
  16. coordinate3Type
  17. coordinateComponentArrayType
  18. countArrayType
  19. countType
  20. dataTypeType
  21. delimiterType
  22. dictionaryPrefixType
  23. dimensionType
  24. eigenOrientationType
  25. elementTypeArrayType
  26. elementTypeType
  27. errorBasisType
  28. errorValueArrayType
  29. errorValueType
  30. floatArrayType
  31. formalChargeArrayType
  32. formalChargeType
  33. formatType
  34. formulaType
  35. ftType
  36. headType
  37. hydrogenCountArrayType
  38. hydrogenCountType
  39. idArrayType
  40. idType
  41. inheritType
  42. integerArrayType
  43. isotopeType
  44. isotopicSpinType
  45. latticeType
  46. linkTypeType
  47. lmType
  48. matrix44Type
  49. matrixType
  50. maxType
  51. measurementType
  52. metadataType
  53. minType
  54. moleculeIDType
  55. moleculeRefArrayType
  56. moleculeRefType
  57. moleculeRefs2Type
  58. namespaceArrayType
  59. namespaceRefType
  60. namespaceType
  61. nonHydrogenCountType
  62. nonNegativeAngleType
  63. nonNegativeNumberType
  64. occupancyArrayType
  65. occupancyType
  66. orderArrayType
  67. orderType
  68. peakMultiplicityType
  69. peakShapeType
  70. peakStructureTypeType
  71. peakWidthType
  72. plane3Type
  73. point3Type
  74. positiveAngleType
  75. positiveNumberType
  76. reactionFormatType
  77. reactionRoleType
  78. reactionStepListTypeType
  79. reactionTypeType
  80. refType
  81. repeatType
  82. schemeType
  83. shapeType
  84. sizeType
  85. spaceType
  86. spectrumTypeType
  87. sphere3Type
  88. stateType
  89. stereoType
  90. stringArrayType
  91. substanceListTypeType
  92. tableTypeType
  93. tailType
  94. torsionAngleType
  95. unitsType
  96. vector3Type
  97. versionType
  98. xmlElementType