Subsections


deselect.spin

Image spin_grey Image spin_grey

Synopsis

Deselect specific spins.

Defaults

deselect.spin(spin_id=None, boolean=`AND', change_all=False)

Keyword arguments

spin_id: The spin ID string.

boolean: The boolean operator specifying how spins should be deselected.

change_all: A flag specifying if all other spins should be changed.

Description

The `change all' flag default is False meaning that all spins currently either selected or deselected will remain that way. Setting this to True will cause all spins not specified by the spin ID string to be deselected.

Boolean operators

The boolean operator can be used to change how spin systems or interatomic data containers are selected. The allowed values are: `OR', `NOR', `AND', `NAND', `XOR', `XNOR'. The following table details how the selections will occur for the different boolean operators.

Please see Table 17.1 on page [*].

Prompt examples

To deselect all glycines and alanines, type:

[numbers=none]
relax> deselect.spin(spin_id=':GLY|:ALA')

To deselect residue 12 MET type:

[numbers=none]
relax> deselect.spin(':12')

[numbers=none]
relax> deselect.spin(spin_id=':12')

[numbers=none]
relax> deselect.spin(spin_id=':12&:MET')


The relax user manual (PDF), created 2016-10-28.