Shift recognizes two options. They can be set with the
OPTION statement described in the ``Standard TNT Data Statements'' section
on page 
.
As an example, the activation of the
VERBOSE option would require the statement
OPTION SET VERBOSE
The Moses option is used to modify the behaviour of solvent atoms in rigid-body refinement. Normally any atoms not specifically listed on COMBINE statements are left as free atoms. If you model contains solvent atoms and several COMBINE statements you would have to assign each solvent atom to a particular statement, which can be time-consuming and error prone. When the Moses option is SET, the waters are ``split" between the COMBINE statements by assigning each atom to the COMBINE statement which contains its nearest neighbor. This option does not affect only solvent, all atoms are assigned to the closest COMBINE statement resulting in the restriction of all free atoms.
The Verbose option causes the program to write additional information to the log file about the choices it makes. This includes a summary of the function value for each module and the actual parameters of the curve being locally fit to the overall function.