[BioPython] Bio.PDB: create a dummy vector

K. Arun karbak at gmail.com
Sat Jul 28 17:32:51 UTC 2007


On 7/27/07, Douglas Kojetin <douglas.kojetin at gmail.com> wrote:

> I would like to calculate the the angle between all of the N-H
> vectors in a PDB file to a specific point in 3D space.  Can someone
> tell me how to create a dummy atom using Biopython located at [0.0,
> 0.0, 0.0]?
>
> atom1 = structure[0]['A'][1]['H']
> atom2 = structure[0]['A'][1]['N']
>
> vector1=atom1.get_vector()
> vector2=atom2.get_vector()
> dummy = :: somehow create a point at [0.0, 0.0, 0.0] :::

Just calling Bio.PDB.Vector directly as below seems to work.

dummy = Bio.PDB.Vector(0.0, 0.0, 0.0)

-arun



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