PDBtools-0.0.3: A library for analysis of 3-D protein coordinates

Safe HaskellSafe-Infered

PDBtools.PDButil.PDBparse

Documentation

data Atom Source

Constructors

Atom 

Fields

name :: ByteString
 
atid :: Int
 
chain :: ByteString
 
resid :: Int
 
resname :: ByteString
 
coords :: [Double]
 
aField :: Double
 
bField :: Double
 
atype :: ByteString
 

Instances

data Protein Source

Constructors

Protein 

Fields

atoms :: [Atom]
 

Instances

parseAtom :: ByteString -> AtomSource

isAtom :: ByteString -> BoolSource

isHETATM :: ByteString -> BoolSource

parse :: FilePath -> IO ([Protein], [Atom])Source

parseCofactorOnly :: FilePath -> IO [Atom]Source

parseProteinOnly :: FilePath -> IO [Protein]Source

splitChains :: [Atom] -> [Protein]Source