Difference between revisions of "Read bmrb.m"
(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...") |
|||
| Line 1: | Line 1: | ||
| − | This function | + | {{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. | ||
==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== | ==Arguments== | ||
| Line 34: | Line 32: | ||
==See also== | ==See also== | ||
| − | [[ | + | [[Spin_system_specification#Protein_and_nucleic_acid_import| Protein and nucleic acid import]] |
| + | |||
| + | [[Protein NMR simulations]] | ||
| − | '' | + | ''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
Version 2.5, authors: Ilya Kuprov, Zenawi Welderufael