Safe Haskell | Safe |
---|---|
Language | Haskell2010 |
- data UnitCell = UnitCell {}
- data Transform = Transform {
- chainIndexList :: ![Int32]
- matrix :: ![Float]
- data Assembly = Assembly {
- transformList :: ![Transform]
- assemblyName :: !Text
- data Entity = Entity {
- entityChainIndexList :: ![Int32]
- entityDescription :: !Text
- entityType :: !Text
- entitySequence :: !Text
- data GroupType = GroupType {
- gtFormalChargeList :: ![Int32]
- gtAtomNameList :: ![Text]
- gtElementList :: ![Text]
- gtBondAtomList :: ![Int32]
- gtBondOrderList :: ![Int32]
- gtGroupName :: !Text
- gtSingleLetterCode :: !Char
- gtChemCompType :: !Text
- data SecondaryStructure
- = PiHelix
- | Bend
- | AlphaHelix
- | Extended
- | ThreeTenHelix
- | Bridge
- | Turn
- | Coil
- | Undefined
- data FormatData = FormatData {
- mmtfVersion :: !Text
- mmtfProducer :: !Text
- data StructureData = StructureData {
- title :: !(Maybe Text)
- structureId :: !(Maybe Text)
- depositionDate :: !(Maybe Text)
- releaseDate :: !(Maybe Text)
- numBonds :: !Int32
- numAtoms :: !Int32
- numGroups :: !Int32
- numChains :: !Int32
- numModels :: !Int32
- spaceGroup :: !(Maybe Text)
- unitCell :: !(Maybe UnitCell)
- ncsOperatorList :: !(Maybe [[Float]])
- bioAssemblyList :: !(Maybe [Assembly])
- entityList :: !(Maybe [Entity])
- resolution :: !(Maybe Float)
- rFree :: !(Maybe Float)
- rWork :: !(Maybe Float)
- experimentalMethods :: !(Maybe [Text])
- bondAtomList :: !(Maybe [Int32])
- bondOrderList :: !(Maybe [Int8])
- data ModelData = ModelData {
- chainsPerModel :: ![Int32]
- data ChainData = ChainData {
- groupsPerChain :: ![Int32]
- chainIdList :: ![Text]
- chainNameList :: !(Maybe [Text])
- data GroupData = GroupData {
- groupList :: ![GroupType]
- groupTypeList :: ![Int32]
- groupIdList :: ![Int32]
- secStructList :: !(Maybe [SecondaryStructure])
- insCodeList :: !(Maybe [Char])
- sequenceIndexList :: !(Maybe [Int32])
- data AtomData = AtomData {
- atomIdList :: !(Maybe [Int32])
- altLocList :: !(Maybe [Char])
- bFactorList :: !(Maybe [Float])
- xCoordList :: ![Float]
- yCoordList :: ![Float]
- zCoordList :: ![Float]
- occupancyList :: !(Maybe [Float])
- data MMTF = MMTF {}
- decode :: Monad m => ByteString -> m MMTF
Documentation
Unit cell data
Transform data
Transform | |
|
Assembly data
Assembly | |
|
Entity data
Entity | |
|
Group type data
GroupType | |
|
data SecondaryStructure Source #
Protein secondary structure
PiHelix | pi helix |
Bend | bend |
AlphaHelix | alpha helix |
Extended | extended |
ThreeTenHelix | 3-10 helix |
Bridge | brigde |
Turn | turn |
Coil | coil |
Undefined | unknown structure |
data FormatData Source #
MMTF format data
FormatData | |
|
data StructureData Source #
Structure data
StructureData | |
|
Models data
ModelData | |
|
Chains data
ChainData | |
|
Groups data
GroupData | |
|
Atoms data
AtomData | |
|
MMTF datatype
decode :: Monad m => ByteString -> m MMTF Source #
Decodes a ByteString
to MMTF