-- Hoogle documentation, generated by Haddock
-- See Hoogle, http://www.haskell.org/hoogle/


-- | A library for analysis of 3-D protein coordinates
--   
--   This is a collection of modules for the analysis of protein
--   coordinates. The suite allows efficient computation on a large data
--   set of RCSB protein data bank files. Parsing returns both protein and
--   ligand coordinates. All of the information in ATOM and HETATM records
--   of a PDB file is preserved.
@package PDBtools
@version 0.0.3

module PDBtools.PDButil.Vectors
dot :: Num a => [a] -> [a] -> a
cross :: Num a => [a] -> [a] -> [a]
vAdd :: Num a => [a] -> [a] -> [a]
vSub :: Num a => [a] -> [a] -> [a]
magnitude :: Num a => [a] -> a
norm :: (Num a, Floating a) => [a] -> a
unit :: (Num a, Floating a) => [a] -> [a]
angle :: (Eq a, Floating a) => [a] -> [a] -> a
rotateAboutz :: Floating a => [a] -> a -> [a]
rotateAboutx :: Floating a => [a] -> a -> [a]

module PDBtools.PDButil.PDBparse
data Atom
Atom :: ByteString -> Int -> ByteString -> Int -> ByteString -> [Double] -> Double -> Double -> ByteString -> Atom
name :: Atom -> ByteString
atid :: Atom -> Int
chain :: Atom -> ByteString
resid :: Atom -> Int
resname :: Atom -> ByteString
coords :: Atom -> [Double]
aField :: Atom -> Double
bField :: Atom -> Double
atype :: Atom -> ByteString
data Protein
Protein :: [Atom] -> Protein
atoms :: Protein -> [Atom]
parseAtom :: ByteString -> Atom
isAtom :: ByteString -> Bool
isHETATM :: ByteString -> Bool
parse :: FilePath -> IO ([Protein], [Atom])
parseCofactorOnly :: FilePath -> IO [Atom]
parseProteinOnly :: FilePath -> IO [Protein]
splitChains :: [Atom] -> [Protein]
instance Show Atom
instance Eq Atom
instance Show Protein

module PDBtools.Base
atomtype :: String -> [Atom] -> [Atom]
atomname :: String -> [Atom] -> [Atom]
atomnames :: [String] -> [Atom] -> [Atom]
restype :: String -> [Atom] -> [Atom]
backbone :: Protein -> [Atom]
resSeq :: Protein -> [(ByteString, Int)]
homology :: Protein -> Protein -> Double
distance :: Atom -> Atom -> Double
rmsd :: [Atom] -> [Atom] -> Double
within :: Double -> Atom -> [Atom] -> [Atom]
withinClusive :: Double -> Atom -> [Atom] -> [Atom]
center :: Atom -> [Atom] -> [Atom]
shift :: Atom -> [Double] -> [Atom] -> [Atom]
translateBy :: [Double] -> [Atom] -> [Atom]
atmAngle :: Atom -> Atom -> Atom -> Double
dihedrals :: Protein -> [(Double, Double)]
kth :: Int -> Atom -> String -> [Atom] -> [Double]
getAdjacent :: Int -> Atom -> String -> [Atom] -> [Atom]
dihedral :: Atom -> [Atom] -> (Double, Double)
rama :: Protein -> IO ()
protein2fasta :: Protein -> ByteString
convert :: ByteString -> String

module PDBtools.Residues
charged :: [Atom] -> [Atom]
uncharged :: [Atom] -> [Atom]
polar :: [Atom] -> [Atom]
nonpolar :: [Atom] -> [Atom]
hydrophobic :: [Atom] -> [Atom]
hydrophillic :: [Atom] -> [Atom]