read_pdb_nuc.m

Reads the coordinates of all atoms from the user-specified PDB file and returns, for each atom, the residue number, the residue type, the PDB label and the Cartesian coordinates.

Syntax

    [res_num,res_typ,pdb_id,coords]=read_pdb_nuc(pdb_file_name)

Arguments

    pdb_file_name - a character string giving the name of the PDB file

Outputs

    nuc_num  - nspins x 1 vector giving the number of the nucleotide to which each spin belongs

    nuc_typ  - nspins x 1 cell array of strings giving the PDB identifier of the nucleotide to 
               which each spin belongs (e.g. 'GUA')

    pdb_id   - nspins x 1 cell array of strings giving the PDB identifier of the nucleic acid atom 
               type to which each spin belongs (e.g. 'C1P')

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

Notes

1. All atoms in the file are read, make sure the PDB only contains one model.

See also

Data import

Protein NMR simulations

Version 2.8, authors: Ilya Kuprov