Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

_chemical_formula.moiety

Definition:

   Formula with each discrete bonded residue or ion shown as a
   separate moiety. See the CHEMICAL_FORMULA category description
   for rules for writing chemical formulae. In addition to the
   general formulae requirements, the following rules apply:
      (1) Moieties are separated by commas ','.
      (2) The order of elements within a moiety follows general rule
         (5) in the CHEMICAL_FORMULA category description.
      (3) Parentheses are not used within moieties but may surround
         a moiety. Parentheses may not be nested.
      (4) Charges should be placed at the end of the moiety. The
         charge '+' or '-' may be preceded by a numerical multiplier
         and should be separated from the last (element symbol +
         count) by a space. Pre- or post-multipliers may be used for
         individual moieties.

Type: text

Mandatory item: no

Category: chemical_formula