Module: MmtfDecode

mmtf decode module.

Methods


<static> decodeMmtf(inputDict, params)

Decode MMTF fields
Parameters:
Name Type Argument Description
inputDict Object encoded MMTF data
params Object <optional>
decoding parameters
Properties
Name Type Description
ignoreFields Array.<String> names of optional fields not to decode
Returns:
mmtfData
Type
module:MmtfDecode.MmtfData

<inner> performDecoding(bytes, size, param)

[performDecoding description]
Parameters:
Name Type Description
bytes Integer [description]
size Integer [description]
param Uint8Array [description]
Returns:
[description]
Type
TypedArray

Type Definitions


EncodedMmtfData

Encoded mmtf data object. Also includes the fields from module:MmtfDecode.SharedMmtfData. See MMTF specification on how they are encoded.
Type:
  • Object
Properties:
Name Type Argument Description
bondAtomList Uint8Array <optional>
Encoded bonded atom indices
bondOrderList Uint8Array <optional>
Encoded bond orders
xCoordBig Uint8Array Encoded x coordinates in Å, part 1
xCoordSmall Uint8Array Encoded x coordinates in Å, part 2
yCoordBig Uint8Array Encoded y coordinates in Å, part 1
yCoordSmall Uint8Array Encoded y coordinates in Å, part 2
yCoordBig Uint8Array Encoded y coordinates in Å, part 1
yCoordSmall Uint8Array Encoded y coordinates in Å, part 2
bFactorBig Uint8Array <optional>
Encoded B-factors in Å^2, part 1
bFactorSmall Uint8Array <optional>
Encoded B-factors in Å^2, part 2
atomIdList Uint8Array <optional>
Encoded atom ids
altLocList Uint8Array <optional>
Encoded alternate location labels
occupancyList Uint8Array <optional>
Encoded occupancies
groupIdList Uint8Array Encoded group ids
groupTypeList Uint8Array Encoded group types
secStructList Uint8Array <optional>
Encoded secondary structure codes
insCodeList Uint8Array <optional>
Encoded insertion codes
seuenceIdList Uint8Array <optional>
Encoded sequence ids
chainIdList Uint8Array Encoded chain ids
chainNameList Uint8Array <optional>
Encoded chain names
Mixes In:

MmtfData

Decoded mmtf data object. Also includes fields the from module:MmtfDecode.SharedMmtfData.
Type:
  • Object
Properties:
Name Type Argument Description
bondAtomList Int32Array <optional>
List of bonded atom indices
bondOrderList Uint8Array <optional>
List of bond orders
xCoordList Float32Array List of x coordinates in Å
yCoordList Float32Array List of y coordinates in Å
zCoordList Float32Array List of z coordinates in Å
bFactorList Float32Array <optional>
List of B-factors in Å^2
atomIdList Int32Array <optional>
List of atom ids
altLocList Uint8Array <optional>
List of alternate location labels
occupancyList Float32Array <optional>
List of occupancies
groupIdList Int32Array List of group ids
groupTypeList Int32Array List of group types
secStructList Int8Array <optional>
List of secondary structure codes, encoding 0: pi helix, 1: bend, 2: alpha helix, 3: extended, 4: 3-10 helix, 5: bridge, 6: turn, 7: coil, -1: undefined
insCodeList Uint8Array <optional>
List of insertion codes
seuenceIdList Int32Array <optional>
List of sequence ids
chainIdList Uint8Array List of chain ids
chainNameList Uint8Array <optional>
List of chain names
Mixes In:

SharedMmtfData

Fields shared in encoded and decoded mmtf data objects.
Type:
  • Object
Properties:
Name Type Argument Description
mmtfVersion String MMTF specification version
mmtfProducer String Program that created the file
unitCell Array.<Float> <optional>
Crystallographic unit cell
Properties
Name Type Description
0 Float x length
1 Float y length
2 Float z length
3 Float alpha angle
4 Float beta angle
5 Float gamma angle
spaceGroup String <optional>
Hermann-Mauguin symbol
structureId String <optional>
Some reference, e.g. a PDB ID
title String <optional>
Short description
depositionDate String <optional>
Deposition date in YYYY-MM-DD format
releaseDate String <optional>
Release date in YYYY-MM-DD format
experimentalMethods Array.<String> <optional>
Structure determination methods
resolution Float <optional>
Resolution in Å
rFree Float <optional>
R-free value
rWork Float <optional>
R-work value
numBonds Integer Number of bonds
numAtoms Integer Number of atoms
numGroups Integer Number of groups (residues)
numChains Integer Number of chains
numModels Integer Number of models
chainsPerModel Array.<Integer> List of number of chains in each model
groupsPerChain Array.<Integer> List of number of groups in each chain
entityList Array.<Entity> <optional>
List of entity objects
Properties
Name Type Description
chainIndexList Array.<Integer> Pointers into chain data fields
description String Description of the entity
type String Name of the entity type
sequence String One letter code sequence
bioAssemblyList Array.<Assembly> <optional>
List of assembly objects
Properties
Name Type Description
transformList Array.<Transform> List of transform objects
Properties
Name Type Description
chainIndexList Array.<Integer> Pointers into chain data fields
matrix Array.<Float> 4x4 transformation matrix
ncsOperatorList Array.<Array> <optional>
List of ncs operator matrices
Properties
Type Description
Array.<Float> 4x4 transformation matrix
groupList Array.<GroupType> List of groupType objects
Properties
Name Type Description
formalChargeList Array.<Integer> List of atom formal charges
elementList Array.<String> List of elements
atomNameList Array.<String> List of atom names
bondAtomList Array.<Integer> List of bonded atom indices
bondOrderList Array.<Integer> List of bond orders
groupName String The name of the group
singleLetterCode String The single letter code
chemCompType String The chemical component type