Parameterize:

This top-level command starts the process of defining which atomic parameters are to be refined, and how the parameters are to be constrained by grouping etc.. The command arguments identify the parameter type(s) (position, bfactor and/or occupancy) that are going to be defined with the sub-commands to follow. Thus, both --position and --bfactor could be specified if the same selections or groupings are to be used. The command is terminated by done, whereupon the program returns to the top level. It can be invoked multiple times to set different parameter types. The parameterization remains in effect for all refine commands until reset.

Parameterize sub-commands & selections:

Most of the sub-commands require that choices of atoms be provided as selections or collections (groups) of selections. Documentation is given in the help for the sub-commands, the top-level select and group commands, and the section on selections later in this documentation. There are a number of ways that these selections can be provided, including as a string selection expression.

Warning

As of 2/4/15, torsion has been extensively used with superpose, but tested on few RSRef examples.