Bob,
I finally had time to test the point groups in jmol.
I used a set of structures included in Patchkovskii's code. They are not
real molecules
and atoms are quite close so I had to decrease the tolerance. As a result of
that (I guess)
some of the structures "freeze" jmol.
I set up a web page where I tested that
http://144.92.39.89/xavier/symmetry/index.php
Would you mind to take a look at it?
Thanks a lot!!
This is the list of problems:
C4h says it is C4
C7 says it is C1
C7h says it is Cs
C7v says it is C1 (but finds all the planes)
C8h doesnt find all elements for C8h
Ci says it is C1
Cinfv doesnt find all elements for Cinfv
D2 doesnt draw the right elements (D4?)
D2d jmol freezes
D2h says it is D2d
D3 says it is C3
D3d jmol freezes
D3h doesnt find all elements for D3h
D4 says it is C4
D4d jmol freezes
D4h says it is C4v
D5 says it is C5
D5d jmol freezes
D5h says it is C5v
D6 says it is C6
D6h doesnt find all elements for D6h
D6d jmol freezes
D7 says it is C1
D7d says it is Ci
D7h says it is C2h
D8 says it is C8
D8d says it is C8v
D8h says it is C8v
Dinfh doesnt find all elements for Dinfh
Ih says it is D5d
Xavier (I'm included in the list of problems :) )
On Wed, Aug 13, 2008 at 6:48 AM, Bob Hanson <[EMAIL PROTECTED]> wrote:
> A chance to contribute!
>
> Nico has just released Jmol 11.6.RC6. This release needs serious
> testings in the next few days. Please check this in any way you can and
> get back to us.
>
> Refreshing
> ----------
>
> Some core functionality was tweaked. Specifically, I reduced the number
> of times Jmol does refreshes. My first attempt at this (Jmol 11.5.RC5)
> was not successful, but I'm hoping 11.5.RC6 is better. These changes
> should significantly reduce the number of times Jmol tries to refresh,
> leading to smoother scripting. But it's also possible that I have
> removed a few too many of these. So the thing to look out for is odd
> refreshing behavior.
>
>
> Synchronization
> ---------------
>
> Eric Martz, I'm hoping you can check out synchronization issues, since
> you seem to be working on that. The changes I made should not affect
> synchronization, but they may.
>
>
> Documentation
> -------------
>
> Up to date? Working ok? Does the applet console Help menu item work? (I
> know there's a problem with the top item. Anybody care to fix that? What
> I'd like there is a "Search" item.)
>
>
> Point Groups
> ------------
>
> Are we done?
>
>
> Images
> ------
>
> This is really incredible. Put an image anywhere using SET ECHO IMAGE,
> in 2D or 3D. Scale it anyway you want. Note that "set fontScaling" works
> the same as for 3D echo text as for echo images. Scaling can be
> accomplished right now using a not-so-obvious scaling factor in the FONT
> ECHO command. I would really appreciate someone doing some testing of
> this. Suggestions?
>
> Do we still need alpha translucency? -- That is, so that the applet can
> appear in a layer in front of an image? If so, please let me know how to
> do that. I think it's an easy addition.
>
>
> General
> -------
>
> So just a simple "yes, this works on my site" would be helpful.
>
>
> Bob
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
>
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--
Xavier Prat-Resina
Research Associate
Journal of Chemical Education and University of Wisconsin
209 N. Brooks St. Madison, WI 53715-1116
Tel: 608 8901702 // Fax: 608 2627145
e-mail: xavier ( ) chem.wisc.edu ; skype: xavierprat
http://x.prat.resina.googlepages.com
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