*SUMFORMULA is used to test for a specified number of atoms of a particular element or group of elements in the sum formula ie. summed over all residues.

**
Graphics QUEST3D Procedure**

The equivalent test construction in Graphics QUEST3D is discussed under FORMULAE.

**
Basic QUEST Procedure**

**
Ex.1**

T1 *SUMF SE .EQ. 8

This will register hits for all entries whose sum formula (summed over all residues) contains 8 selenium atoms.

**
Ex.2**

T1 *SUMF 7A .GT. 4

This will register hits for all entries whose sum formula contains more than 4 atoms of group 7A elements (halogens).

**
Ex.3**

T1 *SUMF Os 6-8

This will register hits for all entries whose sum formula contains 6 or 7 or 8 osmium atoms.

**
Remarks**

The syntax of this test is

*SUMF EL .LO. nor

*SUMF EL a b

where

- EL is the element symbol or group element symbol
- .LO. is a logical operator
- n is the number of atoms
- a b are the minimum and maximum number of atoms in the range

**
Related Bit Screens**

*SUMFORMULA automatically sets the appropriate query screens for the relevant elements (bit screens 1-31 in Appendix 1).

**
Related Keywords**

*NRESIDUES, *MAXATOMICNO, *ELEMENT, *RESFORMULA, *RESIDUE, *FORMULA

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