mmtf-0.1.0.1: Macromolecular Transmission Format implementation

Safe HaskellSafe
LanguageHaskell2010

Bio.MMTF

Synopsis

Documentation

data UnitCell Source #

Unit cell data

Constructors

UnitCell 

Fields

data Transform Source #

Transform data

Constructors

Transform 

Fields

data Assembly Source #

Assembly data

Constructors

Assembly 

Fields

data Entity Source #

Entity data

Constructors

Entity 

Fields

Instances

data GroupType Source #

Group type data

Constructors

GroupType 

Fields

data FormatData Source #

MMTF format data

Constructors

FormatData 

Fields

  • mmtfVersion :: !Text

    The version number of the specification the file adheres to

  • mmtfProducer :: !Text

    The name and version of the software used to produce the file

data StructureData Source #

Structure data

Constructors

StructureData 

Fields

data ModelData Source #

Models data

Constructors

ModelData 

Fields

data ChainData Source #

Chains data

Constructors

ChainData 

Fields

data GroupData Source #

Groups data

Constructors

GroupData 

Fields

data AtomData Source #

Atoms data

Constructors

AtomData 

Fields

  • atomIdList :: !(Maybe [Int32])

    List of atom serial numbers [binary (type 8)]

  • altLocList :: !(Maybe [Char])

    List of alternate location labels, one for each atom [binary (type 6)]

  • bFactorList :: !(Maybe [Float])

    List of atom B-factors in in A^2, one for each atom [binary (type 10)]

  • xCoordList :: ![Float]

    List of x atom coordinates in A, one for each atom [binary (type 10)]

  • yCoordList :: ![Float]

    List of y atom coordinates in A, one for each atom [binary (type 10)]

  • zCoordList :: ![Float]

    List of z atom coordinates in A, one for each atom [binary (type 10)]

  • occupancyList :: !(Maybe [Float])

    List of atom occupancies, one for each atom [binary (type 9)]

data MMTF Source #

MMTF datatype

Constructors

MMTF 

Fields

Instances

Eq MMTF Source # 

Methods

(==) :: MMTF -> MMTF -> Bool #

(/=) :: MMTF -> MMTF -> Bool #

Show MMTF Source # 

Methods

showsPrec :: Int -> MMTF -> ShowS #

show :: MMTF -> String #

showList :: [MMTF] -> ShowS #

decode :: Monad m => ByteString -> m MMTF Source #

Decodes a ByteString to MMTF