Difference between revisions of "Read bmrb.m"

From Spinach Documentation Wiki
Jump to: navigation, search
(Sync syntax/arguments/outputs with current Spinach source)
(Update function See also links and function index membership)
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
{{DISPLAYTITLE:read_bmrb.m}} __NOTOC__
 
{{DISPLAYTITLE:read_bmrb.m}} __NOTOC__
 
 
This function Biological Magnetic Resonance Bank (BMRB) files and extracts amino acid numbers, amino acid types, PDB atom identifiers and chemical shifts.
 
This function Biological Magnetic Resonance Bank (BMRB) files and extracts amino acid numbers, amino acid types, PDB atom identifiers and chemical shifts.
  
 
==Syntax==
 
==Syntax==
  
[aa_num,aa_typ,pdb_id,chemsh]=read_bmrb(bmrb_file_name)
+
    [aa_num,aa_typ,pdb_id,chemsh]=read_bmrb(bmrb_file_name)
 
 
==Arguments==
 
 
 
aa_num - amino acid numbers, vector
 
 
 
      aa_typ - amino acid types, cell array of strings
 
 
 
      pdb_id - atom identifiers using PDB nomenclature,
 
                cell array of strings
 
 
 
      chems  - chemical shifts in ppm
 
 
 
Note: direct calls are discouraged, see the protein HOWTO docu-
 
      ment for instructions on importing protein data.
 
 
 
ilya.kuprov@weizmann.ac.il
 
  
==Notes==
+
==Parameters==
  
#Direct calls to this function are discouraged, it is called by [[protein.m]] protein data import module.
+
    bmrb_file_name - ASCII character string specifying the BMRB file name
#BMRB data format belongs to the PDB family that is not famous for syntactic rigour. If this function fails to parse your file, take a look inside and modify it appropriately.
 
 
 
==See also==
 
 
 
[[Spin_system_specification#Protein_and_nucleic_acid_import| Protein and nucleic acid import]]
 
 
 
[[Protein NMR simulations]]
 
 
 
[[Import, export, and visualisation]]
 
 
 
 
 
''Version 2.5, authors: [[Ilya Kuprov]], [[Zenawi Welderufael]]''
 
  
 
==Returns==
 
==Returns==
  
aa_num - nspins x 1 vector containing the number of the amino acid  
+
    aa_num - nspins x 1 vector containing the number of the amino acid  
 
               residue to which each of the imported spins belongs
 
               residue to which each of the imported spins belongs
 
   
 
   
Line 53: Line 24:
 
     chems  - nspins x 1 vector containing the chemial shift of each of  
 
     chems  - nspins x 1 vector containing the chemial shift of each of  
 
               the imported spins
 
               the imported spins
 +
 +
==Notes==
 +
#Direct calls to this function are discouraged, it is called by [[protein.m]] protein data import module.
 +
#BMRB data format belongs to the PDB family that is not famous for syntactic rigour. If this function fails to parse your file, take a look inside and modify it appropriately.
 +
 +
==See also==
 +
[[protein.m]], [[c2spinach.m]], [[cyprinol.m]], [[fatty_acid.m]], [[g2spinach.m]], [[gissmo2spinach.m]], [[gparse.m]], [[karplus_fit.m]], [[killcross.m]], [[killdiag.m]], [[merge_inp.m]], [[methyl_group.m]], [[nuclacid.m]], [[ocparse.m]], [[oparse.m]], [[parsexml.m]], [[read_pdb_nuc.m]], [[read_pdb_pro.m]], [[v2spinach.m]], [[weblab2nqi.m]], [[x2spinach.m]], [[Spin_system_specification]], [[Protein NMR simulations]], [[Import, export, and visualisation]]
 +
 +
''Version 2.5, authors: [[Ilya Kuprov]], [[Zenawi Welderufael]]''

Latest revision as of 19:40, 6 June 2026

This function Biological Magnetic Resonance Bank (BMRB) files and extracts amino acid numbers, amino acid types, PDB atom identifiers and chemical shifts.

Syntax

    [aa_num,aa_typ,pdb_id,chemsh]=read_bmrb(bmrb_file_name)

Parameters

    bmrb_file_name - ASCII character string specifying the BMRB file name

Returns

    aa_num - nspins x 1 vector containing the number of the amino acid 
             residue to which each of the imported spins belongs

    aa_typ - nspins x 1 cell array containing the PDB identifier of the
             the amino acid residue to which each of the imported spins
             belongs

    pdb_id - nspins x 1 cell array containing the PDB identifier of the
             the atom type which each of the imported spins belongs

    chems  - nspins x 1 vector containing the chemial shift of each of 
             the imported spins

Notes

  1. Direct calls to this function are discouraged, it is called by protein.m protein data import module.
  2. BMRB data format belongs to the PDB family that is not famous for syntactic rigour. If this function fails to parse your file, take a look inside and modify it appropriately.

See also

protein.m, c2spinach.m, cyprinol.m, fatty_acid.m, g2spinach.m, gissmo2spinach.m, gparse.m, karplus_fit.m, killcross.m, killdiag.m, merge_inp.m, methyl_group.m, nuclacid.m, ocparse.m, oparse.m, parsexml.m, read_pdb_nuc.m, read_pdb_pro.m, v2spinach.m, weblab2nqi.m, x2spinach.m, Spin_system_specification, Protein NMR simulations, Import, export, and visualisation

Version 2.5, authors: Ilya Kuprov, Zenawi Welderufael