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*FORMULA

Function

*FORMULA is used to test the complete formula record.

CSD Contents

To use *FORMULA correctly it is essential to have a knowledge of the syntax conventions used for the storage of formulae in the CSD. The most important are :

Examples of formula records are:

Graphics QUEST3D Procedure

Select *FORMULA from the TEXT sub-menu and respond to the standard text prompts.

Basic QUEST Procedure

Ex.1

T1 *FORM C24 H57 B9 N7 P3

This will register hits for entries having the specified formula. However it will also hit formulae such as:

C24 H57 B9 N7 P3 S1
C24 H57 B9 N7 P31
C24 H57 B9 N7 P3,H2 O1
etc.

Note that *FORMULA searching is very slow but can be speeded up by also specifying an *ELEMENT test or appropriate SCRE instructions.

Ex.2

(a)

T1 *FORM C10 H10 Ni1
QUES T1
(b)
T1 *ELEM Ni
T2 *FORM C10 H10 Ni1
QUES T1
(c)
SCRE 10
T1 *FORM C10 H10 Ni1
QUES T1

(b) and (c) will provide much faster searches than (a).

Related Keywords

*NRESIDUES, *MAXATOMICNO, *ELEMENT, *SUMFORMULA, *RESFORMULA, *RESIDUE

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Volume 2 Chapter 11 Text Menu *JRNL.