On Fri, Nov 18, 2016 at 4:02 PM, The Cromicus Productions <
thecromicusproductions.gmail.com> wrote:
> 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"
>
I meant you need to write a small function to load vector.pev to 3D array.
Hai
>
> 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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Received on Fri Nov 18 2016 - 13:30:04 PST
