hPDB-1.1: Protein Databank file format library

Safe HaskellNone



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



type Element = ByteStringSource

Type alias for Element names.

assignElement :: Atom -> ElementSource

Given a PDB Atom extract or guess its Element name.

guessElement :: ByteString -> ElementSource

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

atomicNumber :: Element -> IntSource

Atomic number of a given element

atomicMass :: Element -> DoubleSource

Atomic mass of a given element in g/mol

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

Covalent radius of an element with a given name.

vanDerWaalsRadius :: Element -> DoubleSource

Van der Waals radius of the given element