1. The BUSTER Wiki provides
tutorials and examples illustrating various modes of use of the
program, and more will be added.
2. The full refinement package referred to as BUSTER is
made out of various components:
[PDF] autoBUSTER: a
set of tools and scripts to run structure refinement with
BUSTER. This is the main interface for running BUSTER.
has the dual role of (1) dealing with the calculation of the
geometric restraint function, featuring in particular the full Engh
& Huber (1999) dictionary of protein restraints and a new approach
to NCS, and its partial derivatives with respect to atomic
coordinates; and (2) pooling this information with that produced by
BUSTER-TNT to drive a state-of-the-art optimiser that iteratively
carries out the refinement itself.
[PDF] MakeTNT: a set
of tools for translating restraint dictionaries in the format used
by other refinement packages, and for producing restraint
dictionaries from coordinates. Used by autoBUSTER when it
encounters a new ligand.
handles the operations involved in consulting the X-ray
data via a likelihood function, given a fixed atomic model and the
optional specification of a "missing-atom channel":
generating a smooth solvent mask, optimising a small set of scaling
parameters, and computing partial derivatives of the log-likelihood
function with respect to atomic coordinates and displacement
parameters (the latter anisotropic, if TLS refinement is required).
The documentation for BUSTER-TNT is
quite out of date in parts, and the following Roadmap may be useful.
3. After the installation
it should be easy to use the autoBUSTER interface for running