[Jmol-users] pitch for wireframerotation

[<spi...@ma...>]

   Freida,

   Yes=A0was your post; and yes, I do use labeloffset 0,0; but =20
unfortunately the bonds overlap with the label.=A0 I agree on how it can =20
help students to see how structures translate. Maybe Bob has the old =20
code stashed in a draw somewhere.

   Steve

   >
> Message: 3
> Date: Mon, 10 Dec 2007 21:32:33 -0500
> From: Frieda Reichsman <fr...@ns...>
> Subject: Re: [Jmol-users] pitch for wireframerotation
> To: jmo...@li...
> Message-ID: <E37...@ns...>
> Content-Type: text/plain; charset=3D"us-ascii"
>
> 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[1]
> 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[2]
>
> ///////////////////////////////////////////
>
>
>
>
> On Dec 10, 2007, at 6:17 PM, Steven R. Spilatro wrote:
>
>> Angel,
>> Yes, I suspected that was why it was eliminated.=A0 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).=A0 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).=A0 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.=A0 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).=A0 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" <ang...@ua...>
>>> Subject: Re: [Jmol-users] wireframerotation resurrection?
>>> To: jmo...@li...
>>> Message-ID: <475...@an...>
>>> Content-Type: text/plain; charset=3DUS-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.=A0 It would be a wonderful
>>>> educational
>>>> tool.=A0 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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Links:
------
[1] http://www.chm.bris.ac.uk/motm/acetylcoa/acoajm.htm
[2] http://www.moleculesinmotion.com/
[3] http://sourceforge.net/services/buy/index.php
[4] https://lists.sourceforge.net/lists/listinfo/jmol-users
[5] http://sourceforge.net/services/buy/index.php
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