Subsections


domain

Synopsis

Definition of structural domains.

Defaults

domain(id=None, spin_id=None)

Keyword arguments

id: The ID string used to identify molecular domains.

spin_id: The spin ID string of all atomic members of the domain.

Description

This is used to define structural domains. Multiple domains can be defined, and these can overlap. Rather than labelling the currently loaded spins with the ID string, the spin ID string is stored for later use. This allows new spins to be loaded later and still be included within the same domain.




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