search rotation {<xray-search-rotation-statement>} end
<xray-search-rotation-statement> :==
formatted=<logical>
If true map files are formatted ascii files otherwise they are
unformatted binary files.
range <real> <real>
Select peaks of map p1 based on the distance of the peaks from
the origin (in orthogonal Angstroms).
target=product|correlation
Target function for rotation search:
product = 1/npeaks sum(i=1 to npeaks) [(R*peak(i,p1)) interpolated(i,p2)]
correlation is the correlation between R*peaks(p1) and interpolated(p2)
Default=product
delta=<real>
Angular grid step interval for rotation of map p1.
self_symmetry=<logical>
If false map p1 is treated with P1 symmetry, whereas map p2 is
treated with symmetry as defined by the symmetry operators.
If true both p1 and p2 are treated with the same symmetry as
defined by the symmetry operators.
output=<filename>
--{Rotation function output filename.
nlist=<integer>
Specifies the number of highest peaks of the rotation function that
will be listed.
epsilon=<real>
Epsilon for cluster analysis. This defines a matrix norm to
determine whether two rotation matrices are close. The default
value is reasonable for 10 degree grids.
symbol=<string>
Root name for the symbol table. If blank to table is created (this is
the default.
symmetry=?|reset|<symmetry-operator>
Define symmetry operators which are required for proper grouping of
symmetry related peaks during cluster analysis.
?
Prints current parameters and options.
The following symbols are created upon completion:
$<symbolname>_nlist - number of peaks
$<symbolname>_rfvalue_<i> - rotation function value
$<symbolname>_theta1_<i> - for Eulerian and Lattman mode
$<symbolname>_theta2_<i> - for Eulerian and Lattman mode
$<symbolname>_theta3_<i> - for Eulerian and Lattman mode
$<symbolname>_phi_<i> - for spherical polar angle mode
$<symbolname>_psi_<i> - for spherical polar angle mode
$<symbolname>_kappa_<i> - for spherical polar angle mode
where <i> runs through the clustered peak list.