Data Item _chemical_formula.sum
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General 
- Item name
- _chemical_formula.sum
- Category name
- chemical_formula
- Attribute name
- sum
- Required in PDB entries
- no
- Used in current PDB entries
- No
Item Description
See the CHEMICAL_FORMULA category description for the rules
for writing chemical formulae in which all discrete bonded
residues and ions are summed over the constituent elements,
following the ordering given in general rule (5) in the
CHEMICAL_FORMULA category description. Parentheses are not
normally used.
Item Example
C18 H19 N7 O8 S
Data Type 
- Data type code
- text
- Data type detail
- text item types / multi-line text ...
- Primitive data type code
- char
- Regular expression
- [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
Aliases
| Alias Item Name | Dictionary Name | Dictionary Version |
|---|---|---|
| _chemical_formula_sum | cif_core.dic | 2.0.1 |