VMD-L Mailing List

From: Berit Hinnemann (bhinnema_at_Princeton.EDU)
Date: Tue May 23 2006 - 11:00:36 CDT

Hi Axel,

Thanks for your help. I did not understand completely this part

>>non-orthogonal cells work. however on loading the cell and its
>>embedded coordinates have to be rotated to accomodate the
>>PBC conventions currently employed by VMD. see the cubeplugin docs.

Does this mean that only a cube file where the first lattice vector along
the x-axis and the second one in the xy-plane will be read and displayed
correctly? The rotation, does VMD do this automatically when loading a cube
file or is this something I have to do?

Can I then choose to display several unit cells at once (which would be
great as some interesting things happen at the unit cell border)?

Thanks a lot, Berit