MeanMol - create mean moleculeSYNOPSIS
MeanMol name
( avg_bfactor | max_disp | rms_disp | x_ray )
( mean_only | set_all )
DESCRIPTIONCreate a new molecule with the given name. The new molecule will be the mean structure of all selected molecules. At least one molecule must be selected, and all selected molecules must have the same structure.
The second argument determines how the B-factors of the new molecule are set:
avg_bfactor: average value of all B-factors
max_disp: maximal displacement from mean
structure
rms_disp: root mean square of all displacements
x_ray: values corresponding to B-factors used
for X-ray structures (mean square displacement
multiplied by 8/3 * pi * pi)
If the third argument is mean_only, this B-factors
are only set in the new mean structure, if it is
set_all, the B-factors of all selected structures are
set to this value.
The newly created molecule will have the property "mean".
EXAMPLE
MeanMol "mean" rms_disp mean_onlySEE ALSO
DATE
960314