From: Keith Refson (
Date: Tue Aug 24 2004 - 05:34:31 CDT

Dear VMD developers,

I am seeing a problem displaying periodic images of the
attached PDB file. The spatial relationship between the
periodic images is clearly not correct for repeats in the
Y and Z directions, but appears OK only for X. This is most
clearly seen by choosing a "dynamicbonds" representation for
"name Mg00 O00" and CPK for "all". The MgO layer should
be an infinite periodic solid.

I guess that the periodic image generation is not able to
cope with the non-orthogonal axes of the cell.

A couple of supplementary questions:

1) Is there any way of adding bonds between periodic images
    - for a layer structure this would be the correct display mode.

2) Is there any way of actually drawing the unit cell box?


Keith Refson

Dr Keith Refson,
Building R3
Rutherford Appleton Laboratory
Didcot                          kr AT isise		
Oxfordshire OX11 0QX            DOT nd DOT rl DOT ac DOT uk