[MMTK] normal mode output

Konrad Hinsen hinsen at cnrs-orleans.fr
Tue Nov 18 18:53:19 CET 2003


On Tuesday 18 November 2003 13:59, Pat Fleming wrote:

> I would like to write out PDB files of selected normal mode
> displacements. All of the examples appear to use real time viewing. How
> can one save these modes for later viewing or morphing?

modes = NormalModes(universe)

conf = universe.configuration()
scale = 5.

for n in [6, 7, 8]:
  universe.writeToFile('mode_%d_plus.pdb' % n, conf+scale*modes[n])
  universe.writeToFile('mode_%d_minus.pdb' % n, conf-scale*modes[n])

Konrad.
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