Rich, thanks for the feedback. Users can set their own defaults in Jmol
for the application, but I hear you about first-time or casual users.
This was discussed some time ago, and we ended up with these defaults,
so I guess I'm saying those are what we are going to use. (Not to be
dismissive.) The issue is that different CIF formats file the data
different ways. The default is to show the file data as is -- without
manipulation. That's consistent with all other file load formats.
Now, if you want something else, you can specify either
load "filename" {555 555 1}
or
load "filename" {555 555 0}
to change the default loading. If you have a data set that cuts
molecules into pieces, then one of these formats along with
display molecule=1
should pull up the full molecule.
[EMAIL PROTECTED] wrote:
>I've had a look at both 11.4.2 and 11.5.33 and I don't think the default
>setup of the application is appropriate for new/casual users of chemical
>crystallography information.
>
>When fed a CIF the application puts up a unit cell box with one molecule
>with the center of rotation not coincident with the center of mass of the
>displayed molecule.
>
This is simply what was in the CIF file. Directly. No changes.
>This is unexpected. Looking through the menu items
>doesn't show any way of setting this to a more conventional view. A lot of
>the choices for control of the display don't appear until the right-button
>pop-up menu is discovered.
>
>
The application doesn't have a robust menu system. That's agreed. We
need help on that.
>>From a usability perspective most of what is in the right-button menu
>should be in the application menus (and sub menus). The pop-up menu should
>be limited to those things that are relevant to being affected for the
>item under the pointer at the time the right-button is clicked.
>
>
>
The Jmol application could definitely use some work in this regard.
Bob
>Rich
>
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--
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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