VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 25 2006 - 12:40:57 CDT

Tim,
  There's not presently a way to store additional per-atom vector data
in a way that's directly accessible by atom selections, but it is
quite easy to write a script that renders such a list of eigenvectors
loaded from a file. Let us know if you need help doing that.

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Oct 24, 2006 at 03:25:47PM +0200, Tim Meyer wrote:
> dear all,
> jmol reads a nice file format to read and visualize eigenvectors (reading
> xyz coords of an atom and xyz components of 1 corresponding vector, the
> atom can then be moved along the vector), is there anything comparable in
> vmd? i do have john mongans ied installed however i'd like to have the
> vectors readily available as atom attributes (just like the bfactor field)
> to draw e.g. arrows along the vector. would that be feasable? e.g. read a
> vector from 3 extra columns (81-104) from a pdb file?
>
> thanks in advance
>
> tim 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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