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

Safe Haskell	Safe-Infered

PDBtools.Base

Documentation

atomtype :: String -> [Atom] -> [Atom]Source

atomname :: String -> [Atom] -> [Atom]Source

atomnames :: [String] -> [Atom] -> [Atom]Source

restype :: String -> [Atom] -> [Atom]Source

backbone :: Protein -> [Atom]Source

resSeq :: Protein -> [(ByteString, Int)]Source

homology :: Protein -> Protein -> Double Source

distance :: Atom -> Atom -> Double Source

rmsd :: [Atom] -> [Atom] -> Double Source

within :: Double -> Atom -> [Atom] -> [Atom]Source

withinClusive :: Double -> Atom -> [Atom] -> [Atom]Source

center :: Atom -> [Atom] -> [Atom]Source

shift :: Atom -> [Double] -> [Atom] -> [Atom]Source

translateBy :: [Double] -> [Atom] -> [Atom]Source

atmAngle :: Atom -> Atom -> Atom -> Double Source

dihedrals :: Protein -> [(Double, Double)]Source

kth :: Int -> Atom -> String -> [Atom] -> [Double]Source

getAdjacent :: Int -> Atom -> String -> [Atom] -> [Atom]Source

dihedral :: Atom -> [Atom] -> (Double, Double)Source

rama :: Protein -> IO ()Source

protein2fasta :: Protein -> ByteString Source

convert :: ByteString -> String Source