VMD-L Mailing List

From: Dan Michael O. Heggø (d.m.heggo_at_ub.uio.no)
Date: Wed May 09 2012 - 17:33:04 CDT

Hi,

I've made a plugin for aligning the view to crystal directions
specified by Miller indices, and for drawing crystallographic arrows.
I hope it can be useful for others as well. I've tested it over
several months, doing some fixes now and then, so it should work quite
well by now.

https://github.com/danmichaelo/crystallography

For those not familiar with Git, there is a tarball at

https://github.com/downloads/danmichaelo/crystallography/crystallography-1.2.tar.gz

There are two known minor bugs. Any input on them is appreciated :)

1. When graphic elements are drawn in the VMD window, these elements need to be
  redrawn when the display is altered in some way. The plugin listens
to VMD events
  to be notified about such display changes, but VMD does not seem to
inform about
  all such changes. Examples of events that does not seem to be
broudcasted include
   - smooth rotations: rotate [x | y | z] <angle> <increment>
   - display resize

2. There are some drawing issues with aligning the text at the end of
the arrows.
  The text may crash slightly into the arrows. The problem is that
VMD to my knowledge provides no
  ways of computing the size of text primitives added by VMD's
graphics command.

Cheers,
Dan Michael Heggø 

-- 
Dan Michael Heggø
Realfagsbiblioteket / Science Library
Universitetet i Oslo
Tel.: +47 22 85 54 00, Fax: +47 22 85 74 47
Web: http://www.ub.uio.no/