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Rigid-Body Refinement
X-PLOR provides the possibility of refinement of
several rigid groups
(see Section 10.2). The
following example file is an application to crystallographic refinement.
Parts of the molecule that are not specified in any
GROUp statement remain fixed. The
constraints fix statement has no influence
on rigid-body refinement.
In the following example, the orientational and translational
parameters of two domains (residues 1-30 and 31-70) of the molecule
are refined:
Xplor-NIH 2024-09-13