hPDB-1.2.0.10: Protein Databank file format library

Bio.PDB.Structure.Elements

Description

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

NOTE: This module contains functions that could use hash tables for the lookup instead. See https://ghc.haskell.org/trac/ghc/ticket/10565

Synopsis

# Documentation

Type alias for Element names.

Given a PDB Atom extract or guess its Element name.

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

Atomic number of a given element

Atomic mass of a given element in g/mol

Covalent radius of an element with a given name.

Upper bound of covalentRadius.

Van der Waals radius of the given element

Upper bound of vanDerWaalsRadius.