Difference between revisions of "Read bmrb.m"

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(Created page with "This function reads BMRB files. ==Syntax== [aa_num,aa_typ,pdb_id,chemsh]=read_bmrb(bmrb_file_name) ==Description== The function parses Biological Magnetic Resonance Ba...")
 
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This function reads BMRB files.
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{{DISPLAYTITLE:read_bmrb.m}} __NOTOC__
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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)
 
==Description==
 
The function parses Biological Magnetic Resonance Bank (BMRB) files and extracts amino acid numbers, amino acid types, PDB atom identifiers and chemical shifts.
 
  
 
==Arguments==
 
==Arguments==
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==See also==
 
==See also==
[[protein.m]], [[nuclacid.m]], [[gparse.m]]
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[[Spin_system_specification#Protein_and_nucleic_acid_import| Protein and nucleic acid import]]
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[[Protein NMR simulations]]
  
  
''Revision 3284, authors: [[Ilya Kuprov]]''
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''Version 2.5, authors: [[Ilya Kuprov]], [[Zenawi Welderufael]]''

Revision as of 16:56, 21 October 2020

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)

Arguments

    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

Examples

Direct calls to this function are discouraged, it is called by protein.m protein data import module.

Notes

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 and nucleic acid import

Protein NMR simulations


Version 2.5, authors: Ilya Kuprov, Zenawi Welderufael