[Biopython] PDB parser: suppress warnings

[Peter Cock]

Hi Frederico,

The Python standard library lets you ignore warnings
(and do other things like upgrade them into exceptions).
So the general approach to ignore a particular class of
warnings would be:

import warnings
from Bio import PDBConstructionWarning
warnings.simplefilter('ignore', PDBConstructionWarning)
#all your code here

Better yet, to localise the ignoring of warnings use a
context manager:

import warnings
from Bio import PDBConstructionWarning
#your code
with warnings.catch_warnings():
    warnings.simplefilter('ignore', PDBConstructionWarning)
    #your code which might trigger the warning
#rest of your code here

However, because this is so common, you can just use the
QUIET=True option on the PDBParser object:

from Bio.PDB.PDBParser import PDBParser
struct = PDBParser(QUIET=True).get_structure('tmp', pdbf)

Try help(PDBParser) for more, or see:
http://biopython.org/DIST/docs/api/Bio.PDB.PDBParser%27.PDBParser-class.html#__init__

Regards,

Peter


On Tue, Jul 22, 2014 at 7:14 PM, Frederico Moraes Ferreira
<ferreirafm at usp.br> wrote:
> Hi Biopythonees,
> Has anybody happen to know how to suppress warnings when reading PDBs with
> hydrogenated waters?
>
> from Bio.PDB.PDBParser import PDBParser
> struct = PDBParser().get_structure('tmp', pdbf)
>
> My PDBs came from MD so as all water molecules have hydrogens causing
> thousands of warnings like:
> ...
> /usr/lib64/python2.7/site-packages/Bio/PDB/PDBParser.py:284:
> PDBConstructionWarning: PDBConstructionException: Atom 2H defined twice in
> residue <Residue HOH het=W resseq=2640 icode= > at line 71037.
> Exception ignored.
> Some atoms or residues may be missing in the data structure.
>   % message, PDBConstructionWarning)
> ...
>
> Thanks in advance.
> Fred
>
>
> --
> Dr. Frederico Moraes Ferreira
> University of Sao Paulo
> Heart Institute, School of Medicine
> Laboratoy of Immunology
> Av. Dr. Enéas de Carvalho Aguiar, 44
> 05403-900     Sao Paulo - SP
> Brasil
>
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