# MeanMol

NAME

    MeanMol - create mean molecule

SYNOPSIS

    MeanMol name
        ( avg_bfactor | max_disp | rms_disp | x_ray )
        ( mean_only | set_all )

DESCRIPTION

Create 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_only

SEE ALSO

`SelectMol`, `RemoveMol`

DATE

960314