read_pdb_pro.m

Reads a PDB file and returns amino acid numbers, the amino acid types, PDB atom identifiers, and Cartesian coordinates.

Syntax

    [aa_num,aa_typ,pdb_id,coords]=read_pdb_pro(pdb_file_name,mod_id)

Arguments

    pdb_file_name - a character string with the file name

    mod_id        - the number of model that should be
                    read from the pdb file

Outputs

    aa_num  - nspins x 1 vector giving the number of 
              the amino acid to which each spin belongs

    aa_typ  - nspins x 1 cell array of strings giving 
              the PDB identifier of the amino acid to 
              which each spin belongs (e.g. 'TYR')

    pdb_id  - nspins x 1 cell array of strings giving 
              the PDB identifier of the protein atom 
              type to which each spin belongs (e.g. 'HE2')

    coords  - nspins x 1 cell array of 3-vectors giving 
              Cartesian coordinates of each spin in Angstrom

See also

Data import

Protein NMR simulations

Version 2.8, authors: Ilya Kuprov