From: John Stone (
Date: Tue Jul 06 2004 - 10:28:43 CDT

Dr. Sikorski,
  VMD doesn't implement any space group operators at the present time.
It only implements the most simple degree of support for periodic systems,
primarily suited for MD simulations with periodic boundary conditions.
As yet we don't have the necessary infrastructure for performing more
sophisticated symmetry-based transformations or queries, though this
could be added with some work. At present I don't know enough about
these topics to implement such code myself, so it's unlikely that I'll
get to working on it in the near future. If someone else with experience
in this area would like to help us develop the necessary routines,
that would greatly accelerate the likely pace of development of this type
of feature.

  John Stone

On Tue, Jul 06, 2004 at 01:24:40PM -0100, Pawel Sikorski wrote:
> periodic display and space group
> Hi,
> Does anyone know if it is possible, to generate symmetry related atoms
> within the unit cell starting from an asymmetric unit and using space
> group symmetry operators. Being able to inspect the results and move
> things around would save a lot of work. Would appreciate any info.
> Many Thanks
> Pawel
> --
> Dr.Pawel Sikorski
> Room B4-103
> phone: +47 735 98393
> fax: +47 735 97710
> Physics Dept. NTNU

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