[MMTK] <DKIM> Write b-factor values in pdb

Enrico Guarnera enrico.guarnera at gmail.com
Tue Sep 16 14:30:58 UTC 2014


This is not what I asked but thanks for the attempt. I would like to use the writeToFile function of mmtk, apparently one can modify some "temperature_factor" property of the atoms so that when writing to a pdb the b-factor column gets them. It's just that I could not figure how to change that atom property.


> On Sep 16, 2014, at 21:29, nils.marechal at laposte.net wrote:
> I performed that king of work prviously writing my own script. You can download all 
> informations relative to the PDB file format on rcsb (1996 format) and then it is easy to 
> write a script te replace b-factor columns by any values.
> best,
> Nils Marechal
>> Message du 16/09/14 12:22
>> De : "Enrico Guarnera" 
>> A : "mmtk at starship.python.net" 
>> Copie à : 
>> Objet :  [MMTK] Write b-factor values in pdb
>> Hi there,
>> I would like to write a pdb and add values in the bfactor column. Well, I have list of
> some values for all the atoms of the protein and would like to have them in a pdb in the 
> bfactor column. Any idea how do I do that?
>> Best,
>> Enrico 
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