Anthony wrote:
> I haven't been following this thread, but as I have pointed out on
> this list before, the standard way to set up an arbitrary 3D rotation
> is not Rx*Ry*Rz but Rz*Ry*Rz (Euler angle rotation). (Some people use
> Rz*Rx*Rz which is essentially the same.)

Anthony,

Thank you for reminding us of this ...

As we were working on this I had this feeling that there had been some
discussion at some point in the past, but I could not place it ...


> There is an alternative approach, using quaternions, which provides
> the formula for a rotation through a specified angle about a specified
> axis.

Jmol is using axis-angle rotations for the newly introduced moveTo command.

I think/believe/hope that the axis-angle approach used by Jmol is
correct/standard.

> I suggest that Jmol should use one of these standard, well-documented,
> approaches rather than introducing something different.

I agree completely.

I will change the implementation of 'show position' to print out the
orientation using the Euler angle rotation x-convention.

Thanks again for pointing this out.


Miguel



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