hPDB- Protein Databank file format library

Safe HaskellNone



Basic properties of chemical Elements as suggested by Cambridge Structural Database.



type Element = ByteString Source

Type alias for Element names.

assignElement :: Atom -> Element Source

Given a PDB Atom extract or guess its Element name.

guessElement :: ByteString -> Element Source

Guessing an Element name from PDB Atom name. Returns empty string, if Element can't be guessed.

atomicNumber :: Element -> Int Source

Atomic number of a given element

atomicMass :: Element -> Double Source

Atomic mass of a given element in g/mol

covalentRadius :: (Eq a1, Fractional a, Show a1, IsString a1) => a1 -> a Source

Covalent radius of an element with a given name.

vanDerWaalsRadius :: Element -> Double Source

Van der Waals radius of the given element