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 - 11:00:02 PST
