Modify particle orientation in volume alignment tools?

Features and Functionality
1

Hi,

Would it be possible to add an option to Volume Alignment Tools (or elsewhere if it makes more sense) to apply an arbitrary rotation (or other transformation) to particle orientations?

This would be helpful in the case of classification after symmetry expansion, where one class may show a particular state in monomer A but not B for example, and another class has the opposite configuration, and it would be useful to combine them for further (local) refinement without undoing symmetry expansion.

Cheers
Oli

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2

Thanks for the request – this definitely makes sense as an addition to volume alignment tools since the job already allows for modifying particle shifts. We’ve added it to our todo list.

Best, Michael

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