Is there a way to open a crystal structure and realign the structure with an axis, then save the transformed coordinates? I want all atoms to remain in the same position with respect to each other...just not with respect to the crystallographically defined x, y, z. I have tried alter_state command with rebuild....but I only seem to be able to find commands that translate along the x, y, z.
Thanks, Carly R. Reed Associate Professor and Advisement Coordinator SUNY Brockport Department of Chemistry and Biochemistry (585)395-5588 (office) (330)575-6754 (cell)
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