Precisely. When there was no rotation, the driving angle was 0, and the
translation failed. Now I have it set up so that if the rotation angle is
0, it is instead set to a ridiculously high number, and while that is
animated, it is skipped since it is so large (1,000,000), allowing the
translation to proceed.
On Mon, Dec 2, 2013 at 3:26 AM, Angel Herráez <[email protected]> wrote:
> Thanks, Bob. I will check the update.
>
> This is what I found (with the old versions):
>
> When the atom subset has in both models exactly the same relative
> postitons (this is possible since they come from drawn formulas), the
> RMSD calculated by "compare" is exactly zero. Then, the "rotate
> translate" options produces the problem: the model being moved
> disappears and Jmol gets unresponsive (there is still mouse
> interaction but no commands may be issued, you need to quit the
> application)
>
> I found that by modifying slightly one of the coordinates in one of
> the atoms involved in comparison (e.g. {atomNo=5}.atomX =
> {atomNo=5}.atomX + 0.05), the problem goes away (and I can even
> re-modify back the coordinate later, atomX = atomX - 0.05)
>
> So that's a workaround for older versions (I cannot plug this updated
> Jmol into MP right now).
>
>
>
>
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--
Robert M. Hanson
Larson-Anderson 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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