[Biopython] help for overwrite a pdb file

João Rodrigues anaryin at gmail.com
Thu Oct 6 11:01:28 UTC 2011


Hello Elisa,

You should use PDBIO to generate a new structure file. If you have already
transformed the coordinates, it's pretty simple:

import PDBIO
io = PDBIO()
io.set_structure(your_structure)
io.save('new_structure.pdb')


Cheers,

João [...] Rodrigues
http://nmr.chem.uu.nl/~joao



2011/10/6 Elisa sechi <elisa.sechi85 at hotmail.it>

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> Hi! All !
> I'm contacting you in order to ask help about Biopython.
> I'm using python,I have extract the atoms coordinates  of a protein from a
> pdb file and I have used quaternion in order to rotate the coordinates.
> I have put its in a new matrix but now the problem is: how do I save the
> cartesian coordinates in a pdb file???Do I have to create a new structure
> with the use of builder structure Class??
> I ask you if there is a way to overwrite the new cartesian coordinates in
> the old pdb file that i have used.
> Please help me!!!
> Thank you very much!
> Elisa
>   bye
>
>
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> http://lists.open-bio.org/mailman/listinfo/biopython
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