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Can Prody parse residue label_seq_id from cif file ? #2180

@locitran

Description

@locitran

Hi Prody team,

I look for a function to parse "_atom_site.label_seq_id " from cif file.
My goal is to map residue id in structure file to residue id in PDB protein sequence (which is the protein input in the structure determination process).

Current code is for parsing _atom_site.auth_seq_id if I understand correctly.
I am looking forward to hearing any advice from your team, thank you so much :D

Loci

import prody

pdb = prody.parsePDB('path/to/8y2g.cif')
pdb.ca['A'].getResnums()[:2] # pdb.ca.getResnums()[:2]

# First residue  of 8y2g.cif
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . ASP   A 1 1   ? 109.314 127.786 130.714 1.00 78.66  ? 59  ASP   A N   1 
ATOM   2    C  CA  . ASP   A 1 1   ? 109.534 127.582 132.142 1.00 82.30  ? 59  ASP   A CA  1 
ATOM   3    C  C   . ASP   A 1 1   ? 111.019 127.462 132.504 1.00 80.36  ? 59  ASP   A C   1 
ATOM   4    O  O   . ASP   A 1 1   ? 111.433 126.521 133.179 1.00 81.52  ? 59  ASP   A O   1 
ATOM   5    C  CB  . ASP   A 1 1   ? 108.745 126.353 132.622 1.00 80.53  ? 59  ASP   A CB  1 
ATOM   6    C  CG  . ASP   A 1 1   ? 109.119 125.068 131.887 1.00 84.73  ? 59  ASP   A CG  1 
ATOM   7    O  OD1 . ASP   A 1 1   ? 108.237 124.193 131.765 1.00 85.55  ? 59  ASP   A OD1 1 
ATOM   8    O  OD2 . ASP   A 1 1   ? 110.267 124.921 131.420 1.00 83.46  ? 59  ASP   A OD2 1 

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