mmtf traverse module.
Methods
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<static> traverseMmtf(mmtfData, eventCallbacks, params)
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Traverse the MMTF structure data.
Parameters:
Name Type Argument Description mmtfData
module:MmtfDecode.MmtfData decoded mmtf data eventCallbacks
Object Properties
Name Type Argument Description onModel
module:MmtfTraverse.onModel <optional>
called for each model onChain
module:MmtfTraverse.onChain <optional>
called for each chain onGroup
module:MmtfTraverse.onGroup <optional>
called for each group onAtom
module:MmtfTraverse.onAtom <optional>
called for each atom onBond
module:MmtfTraverse.onBond <optional>
called for each bond params
Object <optional>
traversal parameters Properties
Name Type Argument Description firstModelOnly
Boolean <optional>
traverse only the first model
Type Definitions
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onAtom(atomData)
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Parameters:
Name Type Description atomData
Object Properties
Name Type Argument Description atomIndex
Integer index of the atom groupIndex
Integer index of the parent group chainIndex
Integer index of the parent chain modelIndex
Integer index of the parent model atomId
Integer <nullable>
atom id element
String IUPAC element name, 0 to 3 characters atomName
String name of the atom, 0 to 5 characters formalCharge
Integer formal charge of the atom xCoord
Float x coordinate in Å yCoord
Float y coordinate in Å zCoord
Float z coordinate in Å bFactor
Float <nullable>
B-factor in in Å^2 altLoc
Char <nullable>
alternate location identifier occupancy
Float <nullable>
occupancy of the atom -
onBond(bondData)
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Parameters:
Name Type Description bondData
Object Properties
Name Type Description atomIndex1
Integer index of the first atom atomIndex2
Integer index of the secound atom bondOrder
Integer bond order, allowed values are 1 to 3 -
onChain(chainData)
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Parameters:
Name Type Description chainData
Object Properties
Name Type Argument Description groupCount
Integer number of groups in the chain chainIndex
Integer index of the chain modelIndex
Integer index of the parent model chainId
String chain id chainName
String <nullable>
additional chain name -
onGroup(groupData)
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Parameters:
Name Type Description groupData
Object Properties
Name Type Argument Description atomCount
Integer number of atoms in the group groupIndex
Integer index of the group chainIndex
Integer index of the parent chain modelIndex
Integer index of the parent model groupId
Integer group id (residue number) groupType
Integer index to an entry in module:MmtfDecode.MmtfData#groupList groupName
String name of the group, 0 to 5 characters singleLetterCode
Char IUPAC single letter code, otherwise 'X', 1 character chemCompType
String chemical component type from the mmCIF dictionary secStruct
Integer <nullable>
sencoded secondary structure | 0: pi helix, 1: bend, 2: alpha helix, 3: extended, 4: 3-10 helix, 5: bridge, 6: turn, 7: coil, -1: undefined insCode
Char <nullable>
insertion code sequenceIndex
Integer <nullable>
index to the `sequence` property of the corresponding entity, -1 when the entity has no sequence -
onModel(modelData)
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Parameters:
Name Type Description modelData
Object Properties
Name Type Description chainCount
Integer number of chains in the model modelIndex
Integer index of the model