[BioPython] "centering" pdb files

[Thomas Hamelryck]

Hi,

> Many proteins have internal rotational symmetry. Is it possible to read in a
> PDB file and center in a way that the axis of the rotational symmetry and one
> axis of the coordinates aligns / is superimposed? Has anyone done that using
> BioPython or knows a different Python module which allows this?

Take a look at Bio.PDB and the functions in the Vector module.
That exact functionality is not there (not sure what you mean
actually), but it would be fairly easy to implement. Hint: you can
apply tranlstions/rotations to atoms using the transform method of the
Atom class.

Best,

-Thomas