I will add my $0.02 at this point as well.
In addition to the frame number, it would be useful to display the id =20=
as it is shown in line 2 of an xyz file. This is not so important if =20=
the animation is of a single molecule. But if you are comparing a =20
whole group of molecules, say from a data base, the id number or name =20=
I am not sure how generally useful this is, but I would like to hear =20
opinions. I was playing with over 200 different structures yesterday =20=
and Bob conveniently provided the opportunity to see them all at once. =20=
While it looks like a mess, it is clear which ones lie outside certain =20=
volume boundary limits. In that light, would it be useful to be able =20=
to define a volume and show it as a "cube". I know we can do that =20
with crystals, but the question is, can we, on the fly, resize the box =20=
without resizing the structures? And then have a sense of its volume?
Finally, and this is much more tricky, can we align structures? All of =20=
the 200 I was looking at were substituted indoles. Would it be =20
possible to align the indole ring in all structures and then look at =20
all of the frames simulataneously? Would anyone in the pharmaceutical =20=
fields find this useful? If not, there is no reason to spend time on =20=
Or perhaps we can do all this already and I just am unaware :-)
On Mar 4, 2005, at 4:35 AM, Hans Martin Senn wrote:
> On 3 Mar 2005, at 21:44, Nicolas Vervelle wrote:
>> From: "Philip Bays" <pbays@...>
>>> That is nice. I like the animation controls in the tool bar.
>>> Let's talk a little about which controllers should be there. You =20=
>>> chosen to be able to go back to the initial structure, and to move
>>> forward and back. Is there any sense to putting the whole "player" =
>>> the tool bar? Start, stop, pause, end, step forward and step =20
>> In addition to the 3 I have added, there are a lot of buttons that =20=
>> could be
>> added :
>> - play once
>> - play loop
>> - play palindrome (forward then backward)
>> - pause (I'm not sure there is a script command for it)
>> - stop (I don't find it very useful)
>> - last frame (is it useful ? and I don't think there is a script =20
>>> That makes a n umber of buttons and may take up too much screen
>>> space, but I would be interested in hearing what others think.
> First of all, I think it's great that animation controls are back in a =
> place where they are easiliy accessible, no longer hidden somewhere in =
> a right-click menu!
> In terms of what's needed, my wish list includes:
> - Directly accessible (tool bar or floating palette):
> Play forward, step forward, step backward, rewind, jump to end. The =20=
> play button could be on/off, making an extra stop or pause redundant.
> - A must is a frame counter. (Maybe down in the status bar?)
> - A slider for the playing speed/frame rate should also be a "top =20
> level" interaction element.
> - A slider to move through the movie would be nice.
> - The play mode (once, loop, palindrome) need not be directly =20
> Re-iterating a long-standing wish: It would be extremely useful if =20
> measurements applied not only to one frame, but were updated as the =20=
> movie is playing.
> Hans Martin
> Dr. Hans Martin Senn
> Max-Planck-Institut f=FCr Kohlenforschung
> Kaiser-Wilhelm-Platz 1 Phone +49 (0)208 306 =20=
> D-45470 M=FClheim an der Ruhr Fax +49 (0)208 306 =
> Germany E-mail =20
> SF email is sponsored by - The IT Product Guide
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J. Philip Bays
Professor of Chemistry
Science Hall 158
Saint Mary's College
Notre Dame IN 46556