Bio.MMTF.Structure

Documentation

data Atom

Constructors

Atom

Fields

• atomName :: Text
• atomElement :: Text
• atomCoords :: (Float, Float, Float)
• formalCharge :: Int
• bFactor :: Float
• occupancy :: Float

Instances

Eq Atom

Defined in Bio.MMTF.Structure

Methods

(==) :: Atom -> Atom -> Bool

(/=) :: Atom -> Atom -> Bool

Show Atom

Defined in Bio.MMTF.Structure

Methods

showsPrec :: Int -> Atom -> ShowS

show :: Atom -> String

showList :: [Atom] -> ShowS

Generic Atom

Defined in Bio.MMTF.Structure

Associated Types

type Rep Atom :: Type -> Type

Methods

from :: Atom -> Rep Atom x

to :: Rep Atom x -> Atom

NFData Atom

Defined in Bio.MMTF.Structure

Methods

rnf :: Atom -> ()

type Rep Atom

Defined in Bio.MMTF.Structure

type Rep Atom = D1 (MetaData "Atom" "Bio.MMTF.Structure" "mmtf-0.1.3.1-KVcrNUj79qdBT12OMwxfTx" False) (C1 (MetaCons "Atom" PrefixI True) ((S1 (MetaSel (Just "atomName") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Text) :*: (S1 (MetaSel (Just "atomElement") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Text) :*: S1 (MetaSel (Just "atomCoords") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 (Float, Float, Float)))) :*: (S1 (MetaSel (Just "formalCharge") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Int) :*: (S1 (MetaSel (Just "bFactor") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Float) :*: S1 (MetaSel (Just "occupancy") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Float)))))

data Bond

Constructors

Bond

Fields

• bondStart :: Int
• bondEnd :: Int
• bondOrder :: Int

Instances

Eq Bond

Defined in Bio.MMTF.Structure

Methods

(==) :: Bond -> Bond -> Bool

(/=) :: Bond -> Bond -> Bool

Show Bond

Defined in Bio.MMTF.Structure

Methods

showsPrec :: Int -> Bond -> ShowS

show :: Bond -> String

showList :: [Bond] -> ShowS

Generic Bond

Defined in Bio.MMTF.Structure

Associated Types

type Rep Bond :: Type -> Type

Methods

from :: Bond -> Rep Bond x

to :: Rep Bond x -> Bond

NFData Bond

Defined in Bio.MMTF.Structure

Methods

rnf :: Bond -> ()

type Rep Bond

Defined in Bio.MMTF.Structure

type Rep Bond = D1 (MetaData "Bond" "Bio.MMTF.Structure" "mmtf-0.1.3.1-KVcrNUj79qdBT12OMwxfTx" False) (C1 (MetaCons "Bond" PrefixI True) (S1 (MetaSel (Just "bondStart") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Int) :*: (S1 (MetaSel (Just "bondEnd") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Int) :*: S1 (MetaSel (Just "bondOrder") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Int))))

data Residue

Constructors

Residue

Fields

• resName :: Text
• resAtoms :: Array Int Atom
• resBonds :: Array Int Bond
• resSecondary :: SecondaryStructure

Instances

Eq Residue

Defined in Bio.MMTF.Structure

Methods

(==) :: Residue -> Residue -> Bool

(/=) :: Residue -> Residue -> Bool

Show Residue

Defined in Bio.MMTF.Structure

Methods

showsPrec :: Int -> Residue -> ShowS

show :: Residue -> String

showList :: [Residue] -> ShowS

Generic Residue

Defined in Bio.MMTF.Structure

Associated Types

type Rep Residue :: Type -> Type

Methods

from :: Residue -> Rep Residue x

to :: Rep Residue x -> Residue

NFData Residue

Defined in Bio.MMTF.Structure

Methods

rnf :: Residue -> ()

type Rep Residue

Defined in Bio.MMTF.Structure

type Rep Residue = D1 (MetaData "Residue" "Bio.MMTF.Structure" "mmtf-0.1.3.1-KVcrNUj79qdBT12OMwxfTx" False) (C1 (MetaCons "Residue" PrefixI True) ((S1 (MetaSel (Just "resName") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Text) :*: S1 (MetaSel (Just "resAtoms") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 (Array Int Atom))) :*: (S1 (MetaSel (Just "resBonds") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 (Array Int Bond)) :*: S1 (MetaSel (Just "resSecondary") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 SecondaryStructure))))

data Chain

Constructors

Chain

Fields

• chainName :: Text
• chainResidues :: Array Int Residue

Instances

Eq Chain

Defined in Bio.MMTF.Structure

Methods

(==) :: Chain -> Chain -> Bool

(/=) :: Chain -> Chain -> Bool

Show Chain

Defined in Bio.MMTF.Structure

Methods

showsPrec :: Int -> Chain -> ShowS

show :: Chain -> String

showList :: [Chain] -> ShowS

Generic Chain

Defined in Bio.MMTF.Structure

Associated Types

type Rep Chain :: Type -> Type

Methods

from :: Chain -> Rep Chain x

to :: Rep Chain x -> Chain

NFData Chain

Defined in Bio.MMTF.Structure

Methods

rnf :: Chain -> ()

type Rep Chain

Defined in Bio.MMTF.Structure

type Rep Chain = D1 (MetaData "Chain" "Bio.MMTF.Structure" "mmtf-0.1.3.1-KVcrNUj79qdBT12OMwxfTx" False) (C1 (MetaCons "Chain" PrefixI True) (S1 (MetaSel (Just "chainName") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 Text) :*: S1 (MetaSel (Just "chainResidues") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 (Array Int Residue))))

newtype Model

Constructors

Model

Fields

• modelChains :: Array Int Chain

Instances

Eq Model

Defined in Bio.MMTF.Structure

Methods

(==) :: Model -> Model -> Bool

(/=) :: Model -> Model -> Bool

Show Model

Defined in Bio.MMTF.Structure

Methods

showsPrec :: Int -> Model -> ShowS

show :: Model -> String

showList :: [Model] -> ShowS

Generic Model

Defined in Bio.MMTF.Structure

Associated Types

type Rep Model :: Type -> Type

Methods

from :: Model -> Rep Model x

to :: Rep Model x -> Model

NFData Model

Defined in Bio.MMTF.Structure

Methods

rnf :: Model -> ()

type Rep Model

Defined in Bio.MMTF.Structure

type Rep Model = D1 (MetaData "Model" "Bio.MMTF.Structure" "mmtf-0.1.3.1-KVcrNUj79qdBT12OMwxfTx" True) (C1 (MetaCons "Model" PrefixI True) (S1 (MetaSel (Just "modelChains") NoSourceUnpackedness NoSourceStrictness DecidedLazy) (Rec0 (Array Int Chain))))

modelsOf :: MMTF -> Array Int Model