[BioPython] disordered atoms in pdb

[Fabian Glaser]

Hi,

I am quite new to biopython, so forgive me if I am asking trivial 
questions for a while...

I am successfully reading and updating pdb files with biopython, with 
only one exception: disordered atoms. I understand they are part of a 
different object than regular atoms, but when I am trying for example to 
change their temperature factor values with the following code:

            if residue.is_disordered():            
                for atom in residue:
                    print residue, atom, atom.get_bfactor()            
           
                    atom.set_bfactor(0)
                    print residue, atom, atom.get_bfactor()            
           

The code if there is more than one option, for example A and B, only the 
first one is updated:

<Residue LYS het=  resseq=165 icode= > <Disordered Atom CB> 23.48
<Residue LYS het=  resseq=165 icode= > <Disordered Atom CB> 0
<Residue LYS het=  resseq=165 icode= > <Disordered Atom CG> 25.38
<Residue LYS het=  resseq=165 icode= > <Disordered Atom CG> 0

So how can I cleanly access every unordered atom?

Thanks a lot in advance,

Fabian


-- 
Fabian Glaser, PhD

Bioinformatics Knowledge Unit,
The Lorry I. Lokey Interdisciplinary
Center for Life Sciences and Engineering
Technion - Israel Institute of Technology
Haifa 32000, ISRAEL

Web:   http://bku.technion.ac.il
Email: fglaser at tx.technion.ac.il
Tel:   +972-(0)4-8293701
Cel:   +972-(0)54-4772396