Hi Steven and Angel,
Steven you may be referring to a post of mine some time back. I think
a good illustration of the utility of this wireframeRotation mode is
when you are comparing it head to head with a static drawing, as can
be seen about halfway down that page at
http://www.chm.bris.ac.uk/motm/acetylcoa/acoajm.htm
It enables students to take a conventional chemical structure drawing
and see how it translates to 3D, that is, how the flat representation
cannot capture certain aspects of the structure, and therefore how
you might have to use your imagination when looking at flat drawings.
SO I do think it has educational value as an optional mode.
Regarding the solution you mention below, recreating this effect
using the label command in place of spacefill, have you tried using
set labeloffset 0 0
which should center the label between the bonds,
and perhaps a smaller font size?
Frieda
///////////////////////////////////////////
Frieda Reichsman
Molecules in Motion
Interactive Molecular Structures
http://www.moleculesinmotion.com
///////////////////////////////////////////
On Dec 10, 2007, at 6:17 PM, Steven R. Spilatro wrote:
Angel,
Yes, I suspected that was why it was eliminated. On one hand, it is
a wonderful tool for jumping quickly between the spacefill model and
the more traditional (Lewis-type) representation of molecular
structure (bonds and atom symbols). The web pages I'm working on are
directed principally at intro level biology student who are grappling
with the various ways in which molecular structure can be presented;
as we know, the ability to transition between forms affords one of
the most powerful educational values of Jmol (and chime, etc).
Nevertheless, most students approach the molecular world with
relatively static, Lewis-like imagery of molecular structure, and
they often have difficulty connecting this to the more realist 3-D
spacefill representations (not to mention traces, ribbons, rockets,
etc). The old wireframerotation parameter afforded an elegant way to
toggle between these types of representations.
Possibly what I really like is the wireframe representation that
wireframetoggle produced, with the element symbol encircled with the
bonds adjoining. Currently we can substitute 'label %e' for a
spacefill representation, but the result is not as pleasing since the
symbols overlap with the bonds (this has been my solution so
far). Possibly, there is a way to achieve the wireframerotation-like
appearance with the current version of Jmol, but I haven't found it.
Thanks.
Steve
Message: 8
Date: Mon, 10 Dec 2007 22:10:33 +0100
From: "Angel Herraez" <[EMAIL PROTECTED]>
Subject: Re: [Jmol-users] wireframerotation resurrection?
To: [email protected]
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain; charset=US-ASCII
Steven, can you detail why you think it's interesting?
I saw in the archives a query about the status of
"wireframerotation"
and that is has be discontinued. It would be a wonderful
educational
tool. Any chance of revival?
My experience is that programs use this when they cannot cope with
graphic rendering while rotating. Jmol does this excellently, so I
don't see
the benefit -even educational- of the model changing into
wireframe while
rotated.
******************************************
Dr. Steven R. Spilatro
Chair, Department of Biology
Marietta College
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