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FORMULAE

FORMULAE is used to construct:

either a test for specified numbers of atoms of elements in a single residue

or a test for specified numbers of atoms of elements in the sum formula.

Basic QUEST Procedure

The equivalent test constructions in Basic QUEST are discussed under *RESIDUE and *SUMFORMULA.

They should be read carefully before using Graphics QUEST3D procedure.

Graphics QUEST3D Procedure

Ex. 1

• Select FORMULAE

• Do you wish to specify the formula of a single residue (rather
  than that
  summed over all residues ) ? [Y]

• Type Y <R>

• Please type element or group symbols, followed by the number of occurrences
  required:   (e.g. C10 H12-20 O3 N1-3)
  (Press <RETURN> if you don't want to specify theformula after all)

• Type Cl 6 <R>

• Are any other elements allowed to be present ? [Y]

• Type Y <R>

  A search conducted with this test would register hits for (i) and (iv) - see below.

Ex. 2

• Select FORMULAE

• Do you wish to specify the formula of a single residue (rather
  than that
  summed over all residues ) ? [Y]

• Type N <R>

• Please type an element or group symbol, followed by the number of occurrences
  required: (e.g. P 3 ; 7A .LT. 6 ; TR .GE. 4 ; OS 8-10)
  (Press <RETURN> if you don't want this test)

• Type Cl 6 <R>

  A search conducted with this test would register hits for (i), (ii), (iii) and (iv).

  

  

  

  

Volume 2 Chapter 10 Search Menu GLIST ANGL GLIST BOND and GLIST TORS.