Angles select

angles_select

Parameters

selection=string

(default: none)

Description

Command that selects torsion angles matched by the selection string. By default, the selection made in the most recent angles select command is used, or all angles if no selection has been made so far. The number of selected angles can be accessed with the function nsel. A list of the selected angles is printed if the information level is full, e.g. by adding the parameter info=full. Fixed, non-rotable angles are listed in parentheses.

A torsion angle selection made by the angles select command applies to subsequent commands that make use of selected torsion angles, unless these commands are invoked with an explicit selection. Explicit torsion angle selections of other commands are volatile, i.e. they apply only to the single invocation of the command for which they are made.