> If need be I can always do norotate and then manually perform the z-axis
rotation in python, but I would like to avoid re-inventing the wheel, so to
speak, if possible.
Hi, there is a "rotate" function in pytraj, you can give it a try.
pytraj.rotate(traj, "z 90")
Hai
On Tue, Sep 11, 2018 at 4:03 PM Wesley Michael Botello-Smith <
wmsmith.uci.edu> wrote:
> Hello all,
> I am working on a project where I need to make measurements of membrane
> geometry in the presence of a protein.
> The problem I am having is that when I attempt to align the protein using
> the rms function in cpptraj (or pytraj) with the protein as a the reference
> mask, it ends up tilting the membrane. This complicates some future
> measurements I am doing.
> What I would like to be able to do is tell the rms function to only apply
> rotations about the z-axis. I.e. only apply rotations that do not change
> the z-coordinates of atoms. Does anyone know of a way to do this
> efficiently within cpptraj (or pytraj)?
> If need be I can always do norotate and then manually perform the z-axis
> rotation in python, but I would like to avoid re-inventing the wheel, so to
> speak, if possible.
>
> Thanks in advance,
> -Dr. Wesley Botello-Smith
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Received on Fri Sep 14 2018 - 08:30:02 PDT
