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Description
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 Metadata
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