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Special Positions
Special positions are recognized automatically by X-PLOR.
In particular, the occupancy of a special position by an
atom should not be scaled, since X-PLOR
takes care of this automatically.
In order for the program to recognize
the special position, the atomic coordinate has to be exact.
Note that covalent bonds to atoms at special
positions are not possible at present.
Xplor-NIH 2024-09-13