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Data Types in Dictionary mmcif_sym.dic



Type Code Primitive Type Regular Expression Description
char char
[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
              char item types / multi-word items ...
numb numb
-?[0-9]+
              int item types are the subset of numbers that are the negative 
               or positive integers.
symop char
([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])?
              symop item types take the form n_klm, where n refers to the
               symmetry operation that is applied to the coordinates in the
               ATOM_SITE category identified by _atom_site_label.  It must
               match a number given in _symmetry_equiv_pos_site_id.

               k, l, and m refer to the translations that are subsequently
               applied to the symmetry transformed coordinates to generate
               the atom used.  These translations (x,y,z) are related to
               (k,l,m) by
                     k = 5 + x
                     l = 5 + y
                     m = 5 + z
               By adding 5 to the translations, the use of negative numbers
               is avoided.

 

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