search rotation {} end :== p1input= --{First map p1 - which rotated.} p2input= --{Second map p2 - which remains stationary.} formatted= --{If true map files are formatted ascii files otherwise they are unformatted binary files.} range --{Select peaks of map p1 based on the distance of the peaks from the origin (in orthogonal Angstroms).} threshold= --{Select peaks of map p1 based on peak height.} npeaks= --{Select specified number of highest peaks of map p1.} --{Rotation search:} --{================} 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= --{Angular grid step interval for rotation of map p1.} t1min= t1max= t2min= t2max= t3min= t3max= --{The sampling is equidistant in this Euler angle range using the interval delta: t1min, t1max = theta1 minimum and maximum values t2min, t2max = theta2 minimum and maximum values t3min, t3max = theta3 minimum and maximum values} tpmin= tpmax= tmmin= tmmax= t2min= t2max= --{The sampling will be by the quasi-orthogonal method of Lattman. The interval delta is used for theta2 tpmin, tpmax = theta+ minimum and maximum values t2min, t2max = theta2 minimum and maximum values tmmin, tmmax = theta- minimum and maximum values} psimin= psimax= phimin= phimax= kappamin= kappamax= --{The sampling will by spherical polar angles psimin, psimax = psi minimum and maximum values phimin, phimax = phi minimum and maximum values kappamin, kappamax = kappa minimum and maximum values} self_symmetry= --{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= --{Rotation function output filename.} list= --{File for list of highest peaks.} nlist= --{Specifies the number of highest peaks of the rotation function that will be listed.} epsilon= --{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= --{Root name for the symbol table. If blank to table is created (this is the default.} symmetry=?|reset| --{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: $_nlist - number of peaks $_rfvalue_ - rotation function value $_theta1_ - for Eulerian and Lattman mode $_theta2_ - for Eulerian and Lattman mode $_theta3_ - for Eulerian and Lattman mode $_phi_ - for spherical polar angle mode $_psi_ - for spherical polar angle mode $_kappa_ - for spherical polar angle mode where runs through the clustered peak list.}