[Biopython] creating atom list
João Rodrigues
anaryin at gmail.com
Thu Aug 30 11:08:56 UTC 2012
On my phone, short answer:
bb = set(['ca', 'c', 'n', 'o'])
selection = [atom for atom in struct.get_atoms() if atom.name in bb]
No dia 30 de Ago de 2012 12:38, "Bala subramanian" <
bala.biophysics at gmail.com> escreveu:
> Friends,
> 1) Sorry if this question is repeated. I want to create an atom list
> for super-imposition, what i understand from documentation and
> examples given on the net is that i have to loop through
> model-chain-residues to create a list of atoms that i need. Is there
> any way to select CA or backbone atoms in a single line rather looping
> over the SMCRA hierarchy. Once i create a structure object, i just
> want to create a list of its backbone atoms.
>
> 2) I could nt do a search in the biopython user forum for previous
> questions posted on a topic. I looked in the following link provided
> in Biopython wiki. Am i looking at the wrong link,
>
> http://lists.open-bio.org/pipermail/biopython/
>
> Thanks,
> Bala
>
> --
> C. Balasubramanian
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