that's it exactly, Angel. Rotate AXISANGLE predates internal rotation.
So you need
rotate MOLECULAR axisangle .....
if that is what you want. This is mentioned in the fine print under
"rotate" in the documentation.
Bob
Angel Herraez wrote:
>Thanks, René
>
>It seems you are right: axisangle uses the viewport coordinates, not
>the molecular coordinates. I understood the opposite from the
>documentation.
>Is that right, Bob?
>
>I find this disconcerting; I thought the {x y z} syntax was molecular
>coordinates.
>Maybe this is because rotate AXISANGLE was present in 10.2, when no
>internal spinning was available?
>I think this should be homogenized. Also, I am finding that the order
>of parameters is often irrelevant (e.g. angle before reference
>points, or the other way round; the position of "axisangle" and
>"molecular" keywords...), but documentation is not consistent to this
>respect; a novice user will benefit from a systematic description. I
>will try to write something so that we can update the docs.
>
>Comments (particularly Bob's) or experience with the new spin and
>rotate will be welcome
>
>
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