Volume 2 Chapter 5 Edit Menu UNDO

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WHOLE

Function

WHOLE allows the editing operations to be applied to the whole structure.

Remarks

The valid editing operations which can be applied to the whole structure are:

Examples

Suppose (i) is the starting fragment.

(i)

You will notice that when O moves to its new position the rest of the structure moves with it.

Note that SHIFT is the default option for WHOLE, so when you select an atom in the active whole structure you are prompted to locate its new position.

The operations ROTATE, CENTRE, SCALE, TWIN behave in an analogous fashion to the examples detailed under RESIDUE.

A check is provided for the DELETE operation. Thus:

A very useful operation, applicable to WHOLE, BOX and individual residues, is the SYMMETRY command.

Ex. 1 Suppose we have constructed the fragment (i) - see below.

(i)

Suppose WHOLE is active.

Ex. 2 Suppose we have constructed the fragment (iv), WHOLE is active and the SYMMETRY operation has been selected.

(iv)

Note that SYMMETRY operations can be applied both to skeleton fragments and to fragments such as (i) where hydrogen constraints have been applied. Indeed other constraints eg charge, total coordination number, etc. will be "replicated" in the symmetry- generated part of the structure.

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