Thanks for the reply! Sorry for the ignorance, but what do you mean by "
your_method_to_load_vector_values"?
I have a vector.pev file which I get from using nma.nab, getting a file
named "vecs" and renaming it to "vector.pev"
On Fri, Nov 18, 2016 at 1:30 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> One simple way to do is to use pytraj (+ Python) ( :D )
>
> import pytraj as pt
> pdb_traj = pt.load('your.pdb')
>
> # xyz : 3D array
> xyz = your_method_to_load_vector_values(...)
>
> pdb_traj.xyz = xyz
> pdb_traj.save('your_new.pdb')
>
> Hai
>
> On Fri, Nov 18, 2016 at 1:26 PM, The Cromicus Productions <
> thecromicusproductions.gmail.com> wrote:
>
> > Hi all,
> >
> > I'm working with normal mode analysis and have been able
> > to obtain vector files (.pev) using nma.nab and using the IED add-on
> > (http://mccammon.ucsd.edu/ied/) along with the original pdb file
> > with the coordinates I can watch the motion in vmd.
> >
> > Now, how can I obtain a .pdb file from these vectors? Is there a simple
> > way?
> >
> > Thanks a lot,
> >
> > Sebastian
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> >
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Received on Fri Nov 18 2016 - 13:30:03 PST
