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 PERMutation fastID mediumID slowID

This keyword defines the axes permutations, ie which axis is the fastest changing, the medium, and the sectioning. The various axes are identified with the following convention : x is 1, y is 2, z is 3. For example, to define a valid permutation for a monoclinic space group with b unique, you give PERM 3 1 2. In this case the first argument of GRID should be the number of divisions of the c axis, followed by the number of divisions along a and, finally, b. NOTE WELL : Changing the axes permutation without careful thinking is a standard way to inverse the chirality of your molecule. GraphEnt will NOT stop you from changing enantiomorph.



NMG, Nov 2002