VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jun 28 2004 - 15:24:24 CDT

Vani,
  There's an example script in the VMD user's guide called 'moveby'
that illustrates how to apply an offset to the current frame:
  http://www.ks.uiuc.edu/Research/vmd/current/ug/node176.html#12945

You can write a script that loops over all frames and performs this
operation to all of them, thereby recentering your structure.
Once this is done, you may write a new DCD file, or a sequence of
PDB files as appropriate so that you can work with the new structure
in subsequent analysis tasks.

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jun 28, 2004 at 11:38:17AM -0700, Vani Krishna wrote:
> Hello:
>
> Is there a script available to recenter the
> coordinates and write pdb files of the new
> coordinates? if the center of mass of my current
> system is (x1,y1,z1), and i want it to be (x2,y2,z2),
> is there a simple way to do this?
>
> Thanks
>
>
>
>
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-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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