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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases

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Next: Distance Restraints Up: Molecular Replacement Previous: A “Direct" Rotation Function

Generation of All Symmetry Mates

It is quite useful to analyze the packing between symmetry-related molecules in the unit cell. While some graphics programs provide a packing-analysis facility, you may find it useful to generate explicitly the symmetry-related molecules within X-PLOR. The following example generates all symmetry mates within the unit cell of the 26-10 Fab example. Note that this example generates positions for backbone atoms only. It would be easy to switch to a different selection of atoms by modifying the delete statement.

unitcell.inp



Xplor-NIH 2025-03-21
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