Symmetry constraints functionality - PDFGui

[Jen]

Hi,

I'm not sure if this is a bug, but I am having problems trying to free
the symmetry constraints on a some of the atoms in a cell. I am
trying to free the symmetry constraints by right clicking on the atom
I wish to free in the "constraints" tab of the phase, selecting
symmetry constraints, and then unchecking "constrain positions", but
the atoms do not seem to be free to move off of their symmetry
positions during the fitting process, and if I look at the symmetry
constraints menu again the "constrain positions" box is checked, as if
nothing had changed the first time. I have observed this behavior on
both a Mac and Windows installation (both r3067-20090410).

Thanks,
Jen

[chris farrow]

Hi Jen,

In order to remove constraints, highlight the ones that you want to remove in the grid, and hit "Delete" on your keyboard. You can select multiple cells in the grid at once by dragging the mouse while clicking. If this does not work, then there is definitely a bug.

We had not thought of "unapplying" the constraints, but this is a logical thing to try. We'll consider including this functionality in future releases.

Thanks for the bug report.

Chris



--
Christopher L. Farrow
Associate Research Scientist
Applied Physics and Applied Mathematics Department
Columbia University
Office: 4265 Biomedical and Physical Sciences Building
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web: http://www.columbia.edu/~clf2121