>> I try to implement the rotational stuff we discussed previously but I
>> get some problems.
> I won't be able to take a look at this for a couple of hours.
Fabian,

I just checked in some code which takes a step in the right direction.

The code I checked in allows you to define a center of rotation
 1. select an atom or set of atoms
 2. select View -> Define Center

If you had selected a single atom, then it becomes the center of rotation.
If you had selected a set of atoms then the geometric center of those
atoms becomes the center of rotation.

If no atoms are selected, then the geometric center of the molecule (or
the vectors in the case of a crystal) becomes the center ... the default
behavior.

I'll now take a look at the "rotation matrix" part of your problem.

Miguel





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