VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu May 22 2003 - 10:14:18 CDT

Hi,
  I'm forwarding Jan Saam's message from this morning which bounced,
please find his VMD Tcl script attached to my note:

----- Forwarded message from owner-vmd-l_at_ks.uiuc.edu -----

Subject: Wrapping atoms around unit cell boundaries
From: Jan Saam <saam_at_charite.de>
Reply-To: saam_at_charite.de
To: Ioana Cozmuta <ioana_at_nas.nasa.gov>
Cc: vmd <vmd-l_at_ks.uiuc.edu>

Hi Ioana, vmd-list,

a while ago you posted a question about using unit cell parameters in
VMD.

I wrote a script that wraps the atoms of a selection around the periodic
boundaries according to the info in the xst-file.

It does a good job for me, maybe it is useful for somebody else, too.
I attached it to the mail.

Cheers,
                Jan

---------- end of message --------------- 

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