Haskell PDB Parser
Haskell
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Failed to load latest commit information.
lib
README
pdbparser.cabal

README

Description
- PDBParser is a set of libraries for parsing and data mining PDB files
- Currently, the libraries are completely capable of understanding and handling
   all ATOM records, multi-MODEL NMR files, altlocs, sheets, and helices
- For mathematical routines, PDBParser uses the package hmatrix, which is a 
    Haskell interface to GSL, BLAS, and LAPACK.  Hence, it is very fast. 

Important Notes
- While PDBParser is capable of successfully parsing multi-MODEL NMR files, all
    functions will simply choose the first MODEL in the Protein unless otherwise noted

Portability
PDBParser uses hmatrix from Hackage for linear algebra.  On a Mac,
sudo cabal install --global hmatrix requires that you first install GSL:
sudo port install gsl-devel +universal
More information: https://github.com/AlbertoRuiz/hmatrix

TODO
- Handle HETATM records
- Remove all instances of Prelude.head and Maybe.fromJust
    use pattern matching instead
- Remove the Sheet and Helix data structures and simply use
    fields in the Protein structure